ChemSpider 2D Image | 1-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C26H31FN2O4

1-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H31FN2O4
  • Average mass454.534 Da
  • Monoisotopic mass454.226776 Da
  • ChemSpider ID21525627

More details:

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

1-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[3-(Diméthylamino)propyl]-5-(4-fluorophényl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-[3-(Dimethylamino)propyl]-5-(4-fluorphenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-4-[4-(2-methylpropoxy)benzoyl]- [ACD/Index Name]
1-(3-(dimethylamino)propyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-1H-pyrrol-2(5H)-one
1-(3-Dimethylamino-propyl)-5-(4-fluoro-phenyl)-3-hydroxy-4-(4-isobutoxy-benzoyl)-1,5-dihydro-pyrrol-2-one
1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-{[4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-4-{[4-(2-methylpropoxy)phenyl]carbonyl}-3-pyrrolin-2-one
847049-20-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 612.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.7±3.0 kJ/mol
    Flash Point: 324.5±31.5 °C
    Index of Refraction: 1.578
    Molar Refractivity: 124.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 4.70
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.02
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.27
    Polar Surface Area: 70 Å2
    Polarizability: 49.5±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 376.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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