ChemSpider 2D Image | N-[1-(1-Azepanyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-3-(4-fluorophenyl)-5-methylhexanamide | C28H36F2N2O2

N-[1-(1-Azepanyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-3-(4-fluorophenyl)-5-methylhexanamide

  • Molecular FormulaC28H36F2N2O2
  • Average mass470.594 Da
  • Monoisotopic mass470.274475 Da
  • ChemSpider ID121745006

More details:

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

Benzenepropanamide, 4-fluoro-N-[1-[(4-fluorophenyl)methyl]-2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-β-(2-methylpropyl)- [ACD/Index Name]
N-[1-(1-Azepanyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-3-(4-fluorophenyl)-5-methylhexanamide [ACD/IUPAC Name]
N-[1-(1-Azépanyl)-3-(4-fluorophényl)-1-oxo-2-propanyl]-3-(4-fluorophényl)-5-méthylhexanamide [French] [ACD/IUPAC Name]
N-[1-(1-Azepanyl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]-3-(4-fluorphenyl)-5-methylhexanamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11155.91
ACD/KOC (pH 5.5): 27465.83
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11155.92
ACD/KOC (pH 7.4): 27465.86
Polar Surface Area: 49 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 415.8±3.0 cm3

Click to predict properties on the Chemicalize site


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