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

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

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID60003251

More details:

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

2H-Pyrrol-2-one, 4-(3-chloro-4-ethoxyphenyl)-5-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-1-(2,3,4-trifluorophenyl)- [ACD/Index Name]
4-(3-Chlor-4-ethoxyphenyl)-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(2,3,4-trifluorphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3-Chloro-4-ethoxyphenyl)-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(2,3,4-trifluorophenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3-Chloro-4-éthoxyphényl)-5-[4-(diméthylamino)phényl]-3-hydroxy-1-(2,3,4-trifluorophényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC 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: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.3±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3853.09
ACD/KOC (pH 5.5): 12352.98
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4139.65
ACD/KOC (pH 7.4): 13271.72
Polar Surface Area: 53 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 358.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement