ChemSpider 2D Image | 2-(4-Chlorophenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-2-cyclopropene-1-carboxamide | C27H31ClN2O

2-(4-Chlorophenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-2-cyclopropene-1-carboxamide

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID23187190

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-(4-Chlorophenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-2-cyclopropene-1-carboxamide [ACD/IUPAC Name]
2-(4-Chlorophényl)-N-méthyl-3-phényl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-2-cyclopropène-1-carboxamide [French] [ACD/IUPAC Name]
2-(4-chlorophenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(pyrrolidin-1-yl)cyclohexyl]cycloprop-2-ene-1-carboxamide
2-(4-Chlorphenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]-2-cyclopropen-1-carboxamid [German] [ACD/IUPAC Name]
2-Cyclopropene-1-carboxamide, 2-(4-chlorophenyl)-N-methyl-3-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]- [ACD/Index Name]
2-(4-Chloro-phenyl)-3-phenyl-cycloprop-2-enecarboxylic acid methyl-((1S,2S)-2-pyrrolidin-1-yl-cyclohexyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318034/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 11.94
ACD/KOC (pH 5.5): 29.45
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 252.40
ACD/KOC (pH 7.4): 622.53
Polar Surface Area: 24 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 353.4±5.0 cm3

Click to predict properties on the Chemicalize site


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