ChemSpider 2D Image | N-[4-Benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide | C29H31F3N2O3

N-[4-Benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID12943587

More details:

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

Cyclohexanepropanamide, N-[4-benzoyl-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-3-(trifluoromethyl)-1H-pyrrol-3-yl]- [ACD/Index Name]
N-[4-Benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluormethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamid [German] [ACD/IUPAC Name]
N-[4-Benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide [ACD/IUPAC Name]
N-[4-Benzoyl-1-benzyl-5-méthyl-2-oxo-3-(trifluorométhyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide [French] [ACD/IUPAC Name]
N-[4-BENZOYL-1-BENZYL-5-METHYL-2-OXO-3-(TRIFLUOROMETHYL)PYRROL-3-YL]-3-CYCLOHEXYLPROPANAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 31118.22
ACD/KOC (pH 5.5): 57237.66
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 31068.28
ACD/KOC (pH 7.4): 57145.79
Polar Surface Area: 66 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 402.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement