ChemSpider 2D Image | 1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C26H22ClF3N2O3

1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID59893070

More details:

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

1-[4-Chlor-3-(trifluormethyl)phenyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[4-Chloro-3-(trifluorométhyl)phényl]-5-[4-(diméthylamino)phényl]-3-hydroxy-4-(4-méthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-4-(4-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6227.04
ACD/KOC (pH 5.5): 17420.79
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6987.53
ACD/KOC (pH 7.4): 19548.35
Polar Surface Area: 53 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 362.5±3.0 cm3

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