ChemSpider 2D Image | 4-Fluoro-N-[(2S,3S,4R)-4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)-3-piperidinyl]benzamide | C28H31FN2O2

4-Fluoro-N-[(2S,3S,4R)-4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)-3-piperidinyl]benzamide

  • Molecular FormulaC28H31FN2O2
  • Average mass446.556 Da
  • Monoisotopic mass446.236969 Da
  • ChemSpider ID65060030

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Fluor-N-[(2S,3S,4R)-4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)-3-piperidinyl]benzamid [German] [ACD/IUPAC Name]
4-Fluoro-N-[(2S,3S,4R)-4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)-3-piperidinyl]benzamide [ACD/IUPAC Name]
4-Fluoro-N-[(2S,3S,4R)-4-hydroxy-4-méthyl-2-phényl-1-(3-phénylpropyl)-3-pipéridinyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-fluoro-N-[(2S,3S,4R)-4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)-3-piperidinyl]- [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: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.7±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 37.86
ACD/KOC (pH 5.5): 115.77
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 1779.59
ACD/KOC (pH 7.4): 5442.09
Polar Surface Area: 53 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 367.8±5.0 cm3

Click to predict properties on the Chemicalize site


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