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CAS 125971-96-2
PharmaCompass
CAS 125971-96-2
Also known as: 125971-96-2, 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-n-phenylpentanamide, 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanamide, 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic acid phenylamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzene butaneamide, Ak-25339
Molecular Formula
C26H24FNO3
Molecular Weight
417.48  g/mol
InChI Key
SNPBHOICIJUUFB-UHFFFAOYSA-N

1 2D Structure

CAS 125971-96-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
2.1.2 InChI
InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
2.1.3 InChI Key
SNPBHOICIJUUFB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 125971-96-2

2. 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-n-phenylpentanamide

3. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanamide

4. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

5. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzene Butaneamide

6. Ak-25339

7. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,bata-diphenylbenzene Butaneamide

8. C26h24fno3

9. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-n-phenyl-pentanamide

10. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzenebutanamide

11. 4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzene Butaneamide

12. Atorvastatin M4

13. Pubchem19818

14. Acmc-1c6ge

15. Schembl456631

16. Ctk8b6008

17. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gama-oxo-n,beta-diphenylbenzene Butaneamide

18. Molport-019-918-530

19. Anw-51931

20. Cf0023

21. Mfcd04117986

22. Atorvastatin Intermediate (ii)

23. 4-fluoro-

24. A-[2-methyl-1-oxopropyl]-

25. A-oxo-n,

26. A-diphenylbenzene Butaneamide

27. Akos015840719

28. Ac-1553

29. Am90284

30. An-6898

31. Cl23799

32. Cs-w003198

33. Mcule-1452311956

34. Yf10013

35. Ks-0000018z

36. An-32663

37. As-13101

38. Bc209248

39. Br-25339

40. Cc-08385

41. H328

42. Sc-22397

43. Sy023617

44. Ab0012986

45. Atorvastatin Calcium Intermediate M4

46. Ax8001815

47. Db-020284

48. Kb-191370

49. Sl-000193

50. Tl8000658

51. Tr-003836

52. Ft-0618500

53. St24032322

54. M-1043

55. 971f962

56. C-22024

57. I01-0867

58. J-005311

59. I14-38053

60. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl

61. 4-fluoro-

62. A-(2-methyl-1-oxopropyl)-

63. A-oxo-n,

64. A-diphenyl-benzenebutanamide

65. N-phenyl-2-(alpha-phenyl-4-fluorophenacyl)-3-oxo-4-methylpentanamide

66. (+/-)-4-fluoro-a-[2-methyl-1-oxopropyl ]-gamma-oxo-n,beta--diphenylbenzenebutaneamide

67. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane Amide

68. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane-amide

69. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n, Beta-diphenylbenzenebutaneamide

70. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutane-amide

71. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

72. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gammaoxo-n,beta-diphenylbenzenebutaneamide

73. (+/-)-4-fluoroalpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

74. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-di-phenylbenzenebutaneamide

75. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

76. (+/-)4-fluoro-alpha-[2-methyl-1oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

77. 2-(2-(4-flurophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-n-phenylpentanamide

78. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

79. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]4-methyl-3-oxo-pentanoic Acid Phenylamide

80. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic Acid Phenylamide

81. 4-fluoro-a-(2-methyl-1-oxopropyl)-g-oxo-n,beta-diphenylbenzene Butaneamide

82. 4-fluoro-a-(2-methyl-1-oxopropyl)-y-oxo-n,b-diphenylbenzene Butaneamide

83. 4-fluoro-a-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzene Butaneamide

84. 4-fluoro-alpha-(2-methyl-1-oxopropyl)- Gamma-oxo-n,beta-diphenylbenzenebutanamide

85. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-?-oxo-n,beta-diphenyl-benzenebutanamide

86. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl-benzenebutanamide

87. 4-fluoro-alpha-[2-methyl-1-oxopropyl]-y-oxo-n,beta-diphenylbenzene Butaneamide

88. Benzenebutanamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl-

89. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanamide (4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzenebutanamide)

90. 4-fluoro-alpha-[2-methyl-1-oxopropyl-gamma(3)-oxo]-n,beta-diphenylbenzene Butane Amide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 417.48 g/mol
Molecular Formula C26H24FNO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass417.174 g/mol
Monoisotopic Mass417.174 g/mol
Topological Polar Surface Area63.2 A^2
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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