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Search term: GDTCTGVPWSLKDA-ROUUACIJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Chloro-N-{(1S,3S)-3-[(3-methoxybenzoyl)amino]cyclohexyl}benzamide | C21H23ClN2O3

3-Chloro-N-{(1S,3S)-3-[(3-methoxybenzoyl)amino]cyclohexyl}benzamide

  • Molecular FormulaC21H23ClN2O3
  • Average mass386.872 Da
  • Monoisotopic mass386.139709 Da
  • ChemSpider ID29414478

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Chlor-N-{(1S,3S)-3-[(3-methoxybenzoyl)amino]cyclohexyl}benzamid [German] [ACD/IUPAC Name]
3-Chloro-N-{(1S,3S)-3-[(3-methoxybenzoyl)amino]cyclohexyl}benzamide [ACD/IUPAC Name]
3-Chloro-N-{(1S,3S)-3-[(3-méthoxybenzoyl)amino]cyclohexyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-chloro-N-[(1S,3S)-3-[(3-methoxybenzoyl)amino]cyclohexyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.9±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: 314.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.37
ACD/KOC (pH 5.5): 2031.32
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.37
ACD/KOC (pH 7.4): 2031.32
Polar Surface Area: 67 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 305.3±5.0 cm3

Click to predict properties on the Chemicalize site


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