ChemSpider 2D Image | N-Benzyl-2-[(3S,4S)-1-[(4,4-difluorocyclohexyl)carbonyl]-4-(4-fluorophenoxy)-3-piperidinyl]-N-methylacetamide | C28H33F3N2O3

N-Benzyl-2-[(3S,4S)-1-[(4,4-difluorocyclohexyl)carbonyl]-4-(4-fluorophenoxy)-3-piperidinyl]-N-methylacetamide

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID68646912

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Piperidineacetamide, 1-[(4,4-difluorocyclohexyl)carbonyl]-4-(4-fluorophenoxy)-N-methyl-N-(phenylmethyl)-, (3S,4S)- [ACD/Index Name]
N-Benzyl-2-[(3S,4S)-1-[(4,4-difluorcyclohexyl)carbonyl]-4-(4-fluorphenoxy)-3-piperidinyl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[(3S,4S)-1-[(4,4-difluorocyclohexyl)carbonyl]-4-(4-fluorophenoxy)-3-piperidinyl]-N-methylacetamide [ACD/IUPAC Name]
N-Benzyl-2-[(3S,4S)-1-[(4,4-difluorocyclohexyl)carbonyl]-4-(4-fluorophénoxy)-3-pipéridinyl]-N-méthylacétamide [French] [ACD/IUPAC 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: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1604.69
ACD/KOC (pH 5.5): 6855.16
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1604.70
ACD/KOC (pH 7.4): 6855.17
Polar Surface Area: 50 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 401.9±5.0 cm3

Click to predict properties on the Chemicalize site


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