ChemSpider 2D Image | N-[(2S,4S,6R)-2-(4-Chlorophenyl)-6-(3-fluorophenyl)-4-methyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide | C22H25ClFNO2

N-[(2S,4S,6R)-2-(4-Chlorophenyl)-6-(3-fluorophenyl)-4-methyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide

  • Molecular FormulaC22H25ClFNO2
  • Average mass389.891 Da
  • Monoisotopic mass389.155792 Da
  • ChemSpider ID60575392

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[(2S,4S,6R)-2-(4-Chlorophenyl)-6-(3-fluorophenyl)-4-methyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide [ACD/IUPAC Name]
N-[(2S,4S,6R)-2-(4-Chlorophényl)-6-(3-fluorophényl)-4-méthyltétrahydro-2H-pyran-4-yl]-2-méthylpropanamide [French] [ACD/IUPAC Name]
N-[(2S,4S,6R)-2-(4-Chlorphenyl)-6-(3-fluorphenyl)-4-methyltetrahydro-2H-pyran-4-yl]-2-methylpropanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)tetrahydro-4-methyl-2H-pyran-4-yl]-2-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4197.15
ACD/KOC (pH 5.5): 13642.83
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4197.15
ACD/KOC (pH 7.4): 13642.83
Polar Surface Area: 38 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 323.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement