ChemSpider 2D Image | 8-Chloro-5-(2-fluorophenyl)-7-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12ClFN2O

8-Chloro-5-(2-fluorophenyl)-7-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12ClFN2O
  • Average mass302.731 Da
  • Monoisotopic mass302.062225 Da
  • ChemSpider ID23222080

More details:

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

2H-1,4-Benzodiazepin-2-one, 8-chloro-5-(2-fluorophenyl)-1,3-dihydro-7-methyl- [ACD/Index Name]
8-Chlor-5-(2-fluorphenyl)-7-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
8-Chloro-5-(2-fluorophenyl)-7-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
8-Chloro-5-(2-fluorophényl)-7-méthyl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
8-Chloro-5-(2-fluoro-phenyl)-7-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356411/
Ro-20-8552

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.6±28.7 °C
Index of Refraction: 1.636
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.22
ACD/KOC (pH 5.5): 1421.17
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.49
ACD/KOC (pH 7.4): 1423.31
Polar Surface Area: 41 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 222.7±7.0 cm3

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