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Also known as: 168828-81-7, N-benzyloxycarbonyl-3-fluoro-4-morpholinoaniline, Benzyl n-(3-fluoro-4-morpholin-4-ylphenyl)carbamate, Benzyl 3-fluoro-4-morpholinophenylcarbamate, 3-fluoro-n-cbz-4-morpholinoaniline, Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate
Molecular Formula
C18H19FN2O3
Molecular Weight
330.4  g/mol
InChI Key
XKGUZGHMWUIYDR-UHFFFAOYSA-N

CAS 168828-81-7
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 N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

4. Benzyl 3-fluoro-4-morpholinophenylcarbamate

5. 3-fluoro-n-cbz-4-morpholinoaniline

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

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

8. Mfcd06658240

9. (3-fluoro-4-morpholin-4-yl-phenyl)-carbamic Acid Benzyl Ester

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

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

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

13. (3-fluoro-4-morpholinophenyl)carbamic Acid Benzyl Ester

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

15. (3-fluoro-4-morpholin-4-ylphenyl)carbamic Acid Benzyl Ester

16. Ammoniumgluconate

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

18. Schembl2152084

19. Chembl5005501

20. Dtxsid50415463

21. Bcp08806

22. Zinc4710359

23. Stk688840

24. Akos005601537

25. Ac-22727

26. As-67703

27. Sy019397

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

29. Db-043766

30. Am20030127

31. Cs-0150068

32. Ft-0643614

33. N-carbobenzyloxy-3-fluoro-4-morpholinyl Aniline

34. 828b817

35. A811023

36. J-523484

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

38. [3-fluoro-4(4-morpholinyl)phenyl]carbamic Acid Phenylmethyl Ester

39. 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 330.4 g/mol
Molecular Formula C18H19FN2O3
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass330.13797063 g/mol
Monoisotopic Mass330.13797063 g/mol
Topological Polar Surface Area50.8 Ų
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

BUILDING BLOCK

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