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    CAS 90357-53-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 90357-53-2, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methacrylamide, N-methacryloyl-4-cyano-3-trifluoromethylaniline, N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide, 2-propenamide, n-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
    Molecular Formula
    C12H9F3N2O
    Molecular Weight
    254.21  g/mol
    InChI Key
    HHWDZLSGDDXUSM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
    2.1.2 InChI
    InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)
    2.1.3 InChI Key
    HHWDZLSGDDXUSM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 90357-53-2

    2. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methacrylamide

    3. N-methacryloyl-4-cyano-3-trifluoromethylaniline

    4. N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide

    5. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

    6. 2-propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-

    7. Mfcd03411609

    8. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide

    9. Bicalutamide Impurity 1

    10. Ec 427-880-2

    11. N-(4-cyano-3-trifluoromethylphenyl)methacrylamide

    12. Schembl202386

    13. Dtxsid20456989

    14. Zinc2524908

    15. Akos015900543

    16. Ac-8963

    17. Ds-14914

    18. Sy033448

    19. Am20041371

    20. Cs-0158076

    21. Ft-0651717

    22. Ft-0655086

    23. 357c532

    24. N-[3-(trifluoromethyl)-4-cyanophenyl]methacrylamide

    25. Q-100885

    26. 2-methyl-n-(4-cyano-3-trifluoromethyl-phenyl)-acrylamide

    27. N-(4-cyano-3-trifluoromethyl-phenyl)-2-methyl-acrylamide

    28. 2-propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl

    29. N-methacryloyl-4-cyano-3-trifluoromethylaniline; N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-propenamide;n-(4-cyano-3-(trifluoromethyl)phenyl)methacrylamide;n-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 254.21 g/mol
    Molecular Formula C12H9F3N2O
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass254.06669740 g/mol
    Monoisotopic Mass254.06669740 g/mol
    Topological Polar Surface Area52.9 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity394
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1