ChemSpider 2D Image | (3S)-N-(3-Chloro-2-methylphenyl)-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide | C18H23ClN2O2

(3S)-N-(3-Chloro-2-methylphenyl)-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC18H23ClN2O2
  • Average mass334.840 Da
  • Monoisotopic mass334.144806 Da
  • ChemSpider ID25058539

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-(3-Chlor-2-methylphenyl)-1-cyclohexyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-(3-Chloro-2-methylphenyl)-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-N-(3-Chloro-2-méthylphényl)-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
3-Pyrrolidinecarboxamide, N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxo-, (3S)- [ACD/Index Name]

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

468 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 426.32
ACD/KOC (pH 5.5): 2654.41
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.32
ACD/KOC (pH 7.4): 2654.42
Polar Surface Area: 49 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

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