ChemSpider 2D Image | N-({1-(1-Hydroxy-2-methyl-2-propanyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}methyl)-N-isopropylbenzamide | C26H33F3N2O2

N-({1-(1-Hydroxy-2-methyl-2-propanyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}methyl)-N-isopropylbenzamide

  • Molecular FormulaC26H33F3N2O2
  • Average mass462.548 Da
  • Monoisotopic mass462.249420 Da
  • ChemSpider ID22729997

More details:

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

Benzamide, N-[[1-(2-hydroxy-1,1-dimethylethyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl]methyl]-N-(1-methylethyl)- [ACD/Index Name]
N-({1-(1-Hydroxy-2-methyl-2-propanyl)-4-[3-(trifluormethyl)phenyl]-3-pyrrolidinyl}methyl)-N-isopropylbenzamid [German] [ACD/IUPAC Name]
N-({1-(1-Hydroxy-2-methyl-2-propanyl)-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}methyl)-N-isopropylbenzamide [ACD/IUPAC Name]
N-({1-(1-Hydroxy-2-méthyl-2-propanyl)-4-[3-(trifluorométhyl)phényl]-3-pyrrolidinyl}méthyl)-N-isopropylbenzamide [French] [ACD/IUPAC 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: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 286.0±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 14.88
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 158.80
ACD/KOC (pH 7.4): 656.07
Polar Surface Area: 44 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 395.4±3.0 cm3

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