ChemSpider 2D Image | (3S,4S)-N-[3-(Cyclopentyloxy)-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-3-pyrrolidinecarboxamide | C28H33F3N2O3

(3S,4S)-N-[3-(Cyclopentyloxy)-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID76768032

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-N-[3-(Cyclopentyloxy)-5-(trifluormethyl)phenyl]-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,4S)-N-[3-(Cyclopentyloxy)-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-N-[3-(Cyclopentyloxy)-5-(trifluorométhyl)phényl]-1-(2,6-diméthylphényl)-3-éthyl-4-méthyl-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-[3-(cyclopentyloxy)-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-, (3S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38792.69
ACD/KOC (pH 5.5): 67020.72
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38792.99
ACD/KOC (pH 7.4): 67021.23
Polar Surface Area: 59 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 409.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement