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  • [Synonyms]
    BRN 0421167
    LS-47600
    N-(2-(6-Chloro-5-methoxy-3-indolyl)ethyl)butyramide
    5-22-12-00064 (Beilstein Handbook Reference)
    BUTYRAMIDE, N-(2-(6-CHLORO-5-METHOXY-3-INDOLYL)ETHYL)-
    63762-76-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight294.77656 [g/mol]
    Molecular FormulaC15H19ClN2O2
    XLogP1
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count6
    Tautomer Count2
    Exact Mass294.113506
    MonoIsotopic Mass294.113506
    Topological Polar Surface Area50.7
    Heavy Atom Count20
    Formal Charge0
    Complexity530
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[2-(6-chloro-5-methoxy-2H-indol-3-yl)ethyl]butanamide
    Canonical SMILES: CCCC(=O)NCCC1=C2C=C(C(=CC2=NC1)Cl)OC
    InChI: InChI=1/C15H19ClN2O2/c1-3-4-15(19)17-6-5-10-9-18-13-8-12(16)14(20-2)7-11
    (10)13/h7-8H,3-6,9H2,1-2H3,(H,17,19)/f/h17H



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