ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylacetamide | C17H24Cl2N2O

2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylacetamide

  • Molecular FormulaC17H24Cl2N2O
  • Average mass343.291 Da
  • Monoisotopic mass342.126556 Da
  • ChemSpider ID28522781
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylacetamide [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-N-[(1S,2S)-2-(diméthylamino)cyclohexyl]-N-méthylacétamide [French] [ACD/IUPAC Name]
2-(3,4-Dichlorphenyl)-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylacetamid [German] [ACD/IUPAC Name]
Benzeneacetamide, 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methyl- [ACD/Index Name]
10.1021/jm00110a021

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 465.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 17.46
ACD/KOC (pH 7.4): 101.93
Polar Surface Area: 24 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

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