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CAS 168828-81-7
PharmaCompass
CAS 168828-81-7
Also known as: 168828-81-7, N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline, Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate, Ak-63193, St084774, (3-fluoro-4-morpholin-4-yl-phenyl)-carbamic acid benzyl ester
Molecular Formula
C18H19FN2O3
Molecular Weight
330.359  g/mol
InChI Key
XKGUZGHMWUIYDR-UHFFFAOYSA-N

1 2D Structure

CAS 168828-81-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
2.1.2 InChI
InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
2.1.3 InChI Key
XKGUZGHMWUIYDR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 168828-81-7

2. N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline

3. Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate

4. Ak-63193

5. St084774

6. (3-fluoro-4-morpholin-4-yl-phenyl)-carbamic Acid Benzyl Ester

7. N-carbobenzoxy-3-fluoro-4-morpholinyl Aniline

8. Benzyl [3-fluoro-4-(morpholin-4-yl)phenyl]carbamate

9. Benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

10. (3-fluoro-4-morpholinophenyl)carbamic Acid Benzyl Ester

11. Benzyl N-[3-fluoro-4-(morpholin-4-yl)phenyl]carbamate

12. (3-fluoro-4-morpholin-4-ylphenyl)carbamic Acid Benzyl Ester

13. Carbamic Acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, Phenylmethyl Ester

14. Carbamic Acid, N-[3-fluoro-4-(4-morpholinyl)phenyl]-, Phenylmethyl Ester

15. Benzyl 3-fluoro-4-morpholinophenylcarbamate

16. Ac1ns9ty

17. Ksc533c1r

18. Schembl2152084

19. Intermediate Of Linezolid

20. Ctk4d3118

21. Ks-00000zhn

22. Dtxsid50415463

23. Molport-002-744-022

24. Xkguzghmwuiydr-uhfffaoysa-n

25. Zinc4710359

26. Anw-46625

27. Mfcd06658240

28. Stk688840

29. Akos005601537

30. Af10213

31. Mcule-3404319063

32. Rl02165

33. Ac-22727

34. Aj-52022

35. Am000254

36. An-31035

37. Cc-32527

38. Cj-12238

39. Kb-57761

40. Pc400553

41. Sc-16975

42. Ab0005396

43. Ax8016882

44. Carbobenzoxy-3-fluoro-4-morpholinyl-aniline

45. Db-043766

46. Tc-135370

47. 4ch-009299

48. Am20030127

49. Benzyl(3-fluoro-4-morpholinophenyl)carbamate

50. Ft-0643614

51. St24030139

52. W3678

53. 828b817

54. A811023

55. Benzyl 3-fluoro-4-(4-morpholinyl)phenyl)carbamate

56. Benzyl N-(3-fluoro-4-morpholino-phenyl)carbamate

57. C-20016

58. J-523484

59. I14-42661

60. 3b1-002090

61. A4091/0174437

62. N-(3-fluoro-4-morpholin-4-ylphenyl)(phenylmethoxy)carboxamide

63. (phenylmethyl) N-(3-fluoranyl-4-morpholin-4-yl-phenyl)carbamate

64. [3-fluoro-4(4-morpholinyl)phenyl]carbamic Acid Phenylmethyl Ester

65. Carbamic Acid,n-[3-fluoro-4-(4-morpholinyl)phenyl]-, Phenylmethyl Ester

66. N-[3-fluoro-4-(4-morpholinyl)phenyl]carbamic Acid (phenylmethyl) Ester

2.3 Create Date
2005-11-30
3 Chemical and Physical Properties
Molecular Weight 330.359 g/mol
Molecular Formula C18H19FN2O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass330.138 g/mol
Monoisotopic Mass330.138 g/mol
Topological Polar Surface Area50.8 A^2
Heavy Atom Count24
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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