ChemSpider 2D Image | N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-2-fluorobenzamide | C22H27FN2O

N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-2-fluorobenzamide

  • Molecular FormulaC22H27FN2O
  • Average mass354.461 Da
  • Monoisotopic mass354.210754 Da
  • ChemSpider ID21611472

More details:

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

Benzamide, 2-fluoro-N-[2-(hexahydro-1H-azepin-1-yl)-2-(4-methylphenyl)ethyl]- [ACD/Index Name]
N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]-2-fluorobenzamide [ACD/IUPAC Name]
N-[2-(1-Azépanyl)-2-(4-méthylphényl)éthyl]-2-fluorobenzamide [French] [ACD/IUPAC Name]
N-[2-(Azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-fluorobenzamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±30.1 °C
Index of Refraction: 1.566
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: 3.73
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 6.23
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 47.30
ACD/KOC (pH 7.4): 285.02
Polar Surface Area: 32 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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