ChemSpider 2D Image | N-[4-Benzoyl-5-methyl-2-oxo-1-(2-phenylethyl)-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-methylbutanamide | C26H27F3N2O3

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

  • Molecular FormulaC26H27F3N2O3
  • Average mass472.499 Da
  • Monoisotopic mass472.197388 Da
  • ChemSpider ID21897290

More details:

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

Butanamide, N-[4-benzoyl-2,3-dihydro-5-methyl-2-oxo-1-(2-phenylethyl)-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-methyl- [ACD/Index Name]
N-[4-Benzoyl-5-methyl-2-oxo-1-(2-phenylethyl)-3-(trifluormethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-methylbutanamid [German] [ACD/IUPAC Name]
N-[4-Benzoyl-5-methyl-2-oxo-1-(2-phenylethyl)-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-methylbutanamide [ACD/IUPAC Name]
N-[4-Benzoyl-5-méthyl-2-oxo-1-(2-phényléthyl)-3-(trifluorométhyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-méthylbutanamide [French] [ACD/IUPAC Name]
N-[4-BENZOYL-5-METHYL-2-OXO-1-(2-PHENYLETHYL)-3-(TRIFLUOROMETHYL)PYRROL-3-YL]-3-METHYLBUTANAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8865.48
ACD/KOC (pH 5.5): 23299.87
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8855.37
ACD/KOC (pH 7.4): 23273.28
Polar Surface Area: 66 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 373.2±5.0 cm3

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