ChemSpider 2D Image | N-[(2R,4R,6S)-2-(4-Chlorophenyl)-6-(4-fluorophenyl)-4-methyltetrahydro-2H-pyran-4-yl]propanamide | C21H23ClFNO2

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

  • Molecular FormulaC21H23ClFNO2
  • Average mass375.864 Da
  • Monoisotopic mass375.140137 Da
  • ChemSpider ID60583092
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.0±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3277.58
ACD/KOC (pH 5.5): 11429.51
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3277.58
ACD/KOC (pH 7.4): 11429.51
Polar Surface Area: 38 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

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