ChemSpider 2D Image | N-(2,4-Dichlorobenzoyl)-N-[3-(trifluoromethyl)benzyl]-D-phenylalanine | C24H18Cl2F3NO3

N-(2,4-Dichlorobenzoyl)-N-[3-(trifluoromethyl)benzyl]-D-phenylalanine

  • Molecular FormulaC24H18Cl2F3NO3
  • Average mass496.306 Da
  • Monoisotopic mass495.061584 Da
  • ChemSpider ID26330051

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID
D-Phenylalanine, N-(2,4-dichlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
N-(2,4-Dichlorbenzoyl)-N-[3-(trifluormethyl)benzyl]-D-phenylalanin [German] [ACD/IUPAC Name]
N-(2,4-Dichlorobenzoyl)-N-[3-(trifluoromethyl)benzyl]-D-phenylalanine [ACD/IUPAC Name]
N-(2,4-Dichlorobenzoyl)-N-[3-(trifluorométhyl)benzyl]-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-2-[1-(2,4-dichlorophenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}formamido]-3-phenylpropanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 341.68
ACD/KOC (pH 5.5): 570.25
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 12.03
ACD/KOC (pH 7.4): 20.07
Polar Surface Area: 58 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 351.6±3.0 cm3

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