ChemSpider 2D Image | N-[(2S)-4-Chloro-3-oxo-1-phenyl-2-butanyl]-3-(2,3-dichlorophenyl)propanamide | C19H18Cl3NO2

N-[(2S)-4-Chloro-3-oxo-1-phenyl-2-butanyl]-3-(2,3-dichlorophenyl)propanamide

  • Molecular FormulaC19H18Cl3NO2
  • Average mass398.711 Da
  • Monoisotopic mass397.040314 Da
  • ChemSpider ID23154344

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, 2,3-dichloro-N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(2S)-4-Chlor-3-oxo-1-phenyl-2-butanyl]-3-(2,3-dichlorphenyl)propanamid [German] [ACD/IUPAC Name]
N-[(2S)-4-Chloro-3-oxo-1-phenyl-2-butanyl]-3-(2,3-dichlorophenyl)propanamide [ACD/IUPAC Name]
N-[(2S)-4-Chloro-3-oxo-1-phényl-2-butanyl]-3-(2,3-dichlorophényl)propanamide [French] [ACD/IUPAC Name]
N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-3-(2,3-dichlorophenyl)propanamide
CHEMBL62222
N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(2,3-dichloro-phenyl)-propionamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2585.28
ACD/KOC (pH 5.5): 9644.26
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2585.28
ACD/KOC (pH 7.4): 9644.27
Polar Surface Area: 46 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


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