ChemSpider 2D Image | 4-Chloro-N-[(2S)-2-{[1-(1-naphthyl)ethyl]amino}cyclohexyl]benzamide | C25H27ClN2O

4-Chloro-N-[(2S)-2-{[1-(1-naphthyl)ethyl]amino}cyclohexyl]benzamide

  • Molecular FormulaC25H27ClN2O
  • Average mass406.948 Da
  • Monoisotopic mass406.181183 Da
  • ChemSpider ID23976169
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

4-Chlor-N-[(2S)-2-{[1-(1-naphthyl)ethyl]amino}cyclohexyl]benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-[(2S)-2-{[1-(1-naphthyl)ethyl]amino}cyclohexyl]benzamide [ACD/IUPAC Name]
4-Chloro-N-[(2S)-2-{[1-(1-naphtyl)éthyl]amino}cyclohexyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[(2S)-2-[[1-(1-naphthalenyl)ethyl]amino]cyclohexyl]- [ACD/Index Name]
4-CHLORO-N-[(2S)-2-{[1-(NAPHTHALEN-1-YL)ETHYL]AMINO}CYCLOHEXYL]BENZAMIDE
652973-93-8 [RN]
Calhex 231
Calhex231

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 15.19
ACD/KOC (pH 5.5): 34.64
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 290.13
ACD/KOC (pH 7.4): 661.31
Polar Surface Area: 41 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 336.4±5.0 cm3

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