ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide | C20H18FN3O5

N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC20H18FN3O5
  • Average mass399.372 Da
  • Monoisotopic mass399.123047 Da
  • ChemSpider ID25987902

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxo- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoéthyl]-1-(4-fluorophényl)-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorphenyl)-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1190278-41-1 [RN]
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]formamido}acetamide
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 785.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.2±3.0 kJ/mol
    Flash Point: 428.6±32.9 °C
    Index of Refraction: 1.647
    Molar Refractivity: 99.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.89
    ACD/KOC (pH 5.5): 92.01
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.89
    ACD/KOC (pH 7.4): 92.01
    Polar Surface Area: 97 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 66.2±3.0 dyne/cm
    Molar Volume: 273.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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