ChemSpider 2D Image | N-[2-(1-Azepanyl)-2-(2-chlorophenyl)ethyl]-2-fluorobenzamide | C21H24ClFN2O

N-[2-(1-Azepanyl)-2-(2-chlorophenyl)ethyl]-2-fluorobenzamide

  • Molecular FormulaC21H24ClFN2O
  • Average mass374.879 Da
  • Monoisotopic mass374.156128 Da
  • ChemSpider ID21606001

More details:

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

Benzamide, N-[2-(2-chlorophenyl)-2-(hexahydro-1H-azepin-1-yl)ethyl]-2-fluoro- [ACD/Index Name]
N-[2-(1-Azepanyl)-2-(2-chlorophenyl)ethyl]-2-fluorobenzamide [ACD/IUPAC Name]
N-[2-(1-Azépanyl)-2-(2-chlorophényl)éthyl]-2-fluorobenzamide [French] [ACD/IUPAC Name]
N-[2-(1-Azepanyl)-2-(2-chlorphenyl)ethyl]-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-[2-(Azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-fluorobenzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.6±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 34.50
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 364.47
ACD/KOC (pH 7.4): 1685.01
Polar Surface Area: 32 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

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