ChemSpider 2D Image | N-(4-Chloro-2-fluorophenyl)-N~2~-methyl-N~2~-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-oxoethyl]alaninamide | C22H24ClFN4O3

N-(4-Chloro-2-fluorophenyl)-N2-methyl-N2-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-oxoethyl]alaninamide

  • Molecular FormulaC22H24ClFN4O3
  • Average mass446.902 Da
  • Monoisotopic mass446.152100 Da
  • ChemSpider ID21893310

More details:






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

N-(4-Chlor-2-fluorphenyl)-N2-methyl-N2-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-oxoethyl]alaninamid [German] [ACD/IUPAC Name]
N-(4-Chloro-2-fluorophenyl)-N2-methyl-N2-[2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)-2-oxoethyl]alaninamide [ACD/IUPAC Name]
N-(4-Chloro-2-fluorophényl)-N2-méthyl-N2-[2-(2-méthyl-4-oxo-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-1-yl)-2-oxoéthyl]alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-(4-chloro-2-fluorophenyl)-2-[methyl[2-oxo-2-(2,3,4,5-tetrahydro-2-methyl-4-oxo-1H-1,5-benzodiazepin-1-yl)ethyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 693.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.21
ACD/KOC (pH 5.5): 529.67
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.74
ACD/KOC (pH 7.4): 570.15
Polar Surface Area: 82 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 339.6±3.0 cm3

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