ChemSpider 2D Image | 1-(4-Anilinophenyl)-4-(3,4-dimethoxyphenyl)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C31H25F3N2O4

1-(4-Anilinophenyl)-4-(3,4-dimethoxyphenyl)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID60250402

More details:






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

1-(4-Anilinophenyl)-4-(3,4-dimethoxyphenyl)-3-hydroxy-5-[3-(trifluormethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(4-Anilinophenyl)-4-(3,4-dimethoxyphenyl)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(4-Anilinophényl)-4-(3,4-diméthoxyphényl)-3-hydroxy-5-[3-(trifluorométhyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 4-(3,4-dimethoxyphenyl)-1,5-dihydro-3-hydroxy-1-[4-(phenylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 654.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3849.76
ACD/KOC (pH 5.5): 12823.27
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3746.83
ACD/KOC (pH 7.4): 12480.43
Polar Surface Area: 71 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

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