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    Chemistry

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    Also known as: 1549490-65-4, Mfcd24172959, N-ethyl-5-fluoro-2-hydroxy-n-(propan-2-yl)benzamide, N-ethyl-5-fluoro-2-hydroxy-n-isopropylbenzamide, Schembl23569482, Ps-18816
    Molecular Formula
    C12H16FNO2
    Molecular Weight
    225.26  g/mol
    InChI Key
    SSWVYDFXIPCMQV-UHFFFAOYSA-N
    CAS 1549490-65-4
    1 2D Structure

    CAS 1549490-65-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-ethyl-5-fluoro-2-hydroxy-N-propan-2-ylbenzamide
    2.1.2 InChI
    InChI=1S/C12H16FNO2/c1-4-14(8(2)3)12(16)10-7-9(13)5-6-11(10)15/h5-8,15H,4H2,1-3H3
    2.1.3 InChI Key
    SSWVYDFXIPCMQV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1549490-65-4

    2. Mfcd24172959

    3. N-ethyl-5-fluoro-2-hydroxy-n-(propan-2-yl)benzamide

    4. N-ethyl-5-fluoro-2-hydroxy-n-isopropylbenzamide

    5. Schembl23569482

    6. Ps-18816

    7. Sy323302

    8. F88960

    9. N-ethyl-5-fluoro-2-hydroxy-n-propan-2-ylbenzamide

    10. Benzamide, N-ethyl-5-fluoro-2-hydroxy-n-(1-methylethyl)

    2.3 Create Date
    2016-01-29
    3 Chemical and Physical Properties
    Molecular Weight 225.26 g/mol
    Molecular Formula C12H16FNO2
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area40.5
    Heavy Atom Count16
    Formal Charge0
    Complexity245
    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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