ChemSpider 2D Image | 2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl N-benzoyl-D-valinate | C21H20ClF3N2O4

2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl N-benzoyl-D-valinate

  • Molecular FormulaC21H20ClF3N2O4
  • Average mass456.843 Da
  • Monoisotopic mass456.106354 Da
  • ChemSpider ID78269565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[4-Chlor-2-(trifluormethyl)phenyl]amino}-2-oxoethyl-N-benzoyl-D-valinat [German] [ACD/IUPAC Name]
2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl N-benzoyl-D-valinate [ACD/IUPAC Name]
D-Valine, N-benzoyl-, 2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
N-Benzoyl-D-valinate de 2-{[4-chloro-2-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 751.94
ACD/KOC (pH 5.5): 3984.48
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 751.73
ACD/KOC (pH 7.4): 3983.37
Polar Surface Area: 85 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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