ChemSpider 2D Image | N-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-1-isopropyl-N-methyl-1H-benzotriazole-5-carboxamide | C19H19ClFN5O2

N-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-1-isopropyl-N-methyl-1H-benzotriazole-5-carboxamide

  • Molecular FormulaC19H19ClFN5O2
  • Average mass403.838 Da
  • Monoisotopic mass403.121124 Da
  • ChemSpider ID29054504

More details:

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

1H-1,2,3-Benzotriazole-5-carboxamide, N-[2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl]-N-methyl-1-(1-methylethyl)- [ACD/Index Name]
N-{2-[(3-Chlor-4-fluorphenyl)amino]-2-oxoethyl}-1-isopropyl-N-methyl-1H-benzotriazol-5-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}-1-isopropyl-N-methyl-1H-benzotriazole-5-carboxamide [ACD/IUPAC Name]
N-{2-[(3-Chloro-4-fluorophényl)amino]-2-oxoéthyl}-1-isopropyl-N-méthyl-1H-benzotriazole-5-carboxamide [French] [ACD/IUPAC Name]
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-isopropyl-N-methyl-1H-1,2,3-benzotriazole-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.37
ACD/KOC (pH 5.5): 860.53
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.36
ACD/KOC (pH 7.4): 860.49
Polar Surface Area: 80 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 292.7±7.0 cm3

Click to predict properties on the Chemicalize site


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