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    CAS 168828-81-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    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
    1 2D Structure

    2D Structure

    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