ChemSpider 2D Image | N-(3-Chloro-2-fluorophenyl)-4-(cyclopropylcarbonyl)-1,4-diazepane-1-carboxamide | C16H19ClFN3O2

N-(3-Chloro-2-fluorophenyl)-4-(cyclopropylcarbonyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID35186720

More details:

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

1H-1,4-Diazepine-1-carboxamide, N-(3-chloro-2-fluorophenyl)-4-(cyclopropylcarbonyl)hexahydro- [ACD/Index Name]
N-(3-Chlor-2-fluorphenyl)-4-(cyclopropylcarbonyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-(3-Chloro-2-fluorophenyl)-4-(cyclopropylcarbonyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-(3-Chloro-2-fluorophényl)-4-(cyclopropylcarbonyl)-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.69
ACD/KOC (pH 5.5): 440.60
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.67
ACD/KOC (pH 7.4): 440.48
Polar Surface Area: 53 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 241.6±3.0 cm3

Click to predict properties on the Chemicalize site


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