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    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-pentanoic acid phenylamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzene butaneamide, Kv1o5ztn5t, Mfcd04117986
    Molecular Formula
    C26H24FNO3
    Molecular Weight
    417.5  g/mol
    InChI Key
    SNPBHOICIJUUFB-UHFFFAOYSA-N
    FDA UNII
    KV1O5ZTN5T
    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 Other Identifiers
    2.2.1 UNII
    KV1O5ZTN5T
    2.3 Synonyms
    2.3.1 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-pentanoic Acid Phenylamide

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

    5. Kv1o5ztn5t

    6. Mfcd04117986

    7. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl-benzenebutanamide

    8. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenylbenzenebutanamide

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

    10. 4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzene Butaneamide

    11. Unii-kv1o5ztn5t

    12. Ec 425-850-3

    13. Schembl456631

    14. Dtxsid10925331

    15. 4-(4-fluorophenyl)-2-(2-methyl-1-oxopropyl)-4-oxo-3,n-diphenylbutanamide

    16. Akos015840719

    17. Ac-1553

    18. Am90284

    19. Cs-w003198

    20. Atorvastatin Diketo Amide Impurity

    21. As-13101

    22. Sy023617

    23. Db-020284

    24. Sl-000193

    25. Ft-0618500

    26. 971f962

    27. J-005311

    28. 4-fluoro-?-(2-methyl-1-oxopropyl)-?-oxo-n,?-diphenyl-benzenebutanamide

    29. Benzenebutanamide, 4-fluoro--(2-methyl-1-oxopropyl)--oxo-n,-diphenyl-

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

    31. (+/-)-4-fluoro-a-[2-methyl-1-oxopropyl ]-gamma-oxo-n,beta--diphenylbenzenebutaneamide

    32. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane Amide

    33. (+/-)-4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-n,beta-diphenyl Benzenebutane-amide

    34. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n, Beta-diphenylbenzenebutaneamide

    35. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutane-amide

    36. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

    37. (+/-)-4-fluoro-alpha-[2-methyl-1-oxopropyl]-gammaoxo-n,beta-diphenylbenzenebutaneamide

    38. (+/-)-4-fluoroalpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

    39. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-di-phenylbenzenebutaneamide

    40. (+/-)4-fluoro-alpha-[2-methyl-1-oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

    41. (+/-)4-fluoro-alpha-[2-methyl-1oxopropyl]-gamma-oxo-n,beta-diphenylbenzenebutaneamide

    42. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

    43. 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]4-methyl-3-oxo-pentanoic Acid Phenylamide

    44. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-n-phenylpentanimidic Acid

    45. 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic Acid Phenylamide

    46. 2[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic Acid Phenylamide

    47. 4-fluoro-

    48. A-(2-methyl-1-oxopropyl)-

    49. A-oxo-n,

    50. A-dlphonylbenzene Butaneaminde

    51. 4-fluoro-alpha-(2-methyl-1-oxopropyl)- Gamma -oxo-n, Beta -diphenyl-benzenebutanamide

    52. 4-fluoro-alpha-(2-methyl-1-oxopropyl)- Gamma-oxo-n,beta-diphenylbenzenebutanamide

    53. 4-fluoro-alpha-(2-methyl-1-oxopropyl)-?-oxo-n,beta-diphenyl-benzenebutanamide

    54. 4-fluoro-.alpha.-(2-methyl-1-oxopropyl)-.gamma.-oxo-n,.beta.-diphenyl-benzenebutanamide

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

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 417.5 g/mol
    Molecular Formula C26H24FNO3
    XLogP35.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass417.17402179 g/mol
    Monoisotopic Mass417.17402179 g/mol
    Topological Polar Surface Area63.2 Ų
    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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