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

N-{3-[(3-Chloro-4-fluorophenyl)amino]-3-oxopropyl}-1-propyl-1H-benzotriazole-5-carboxamide

  • Molecular FormulaC19H19ClFN5O2
  • Average mass403.838 Da
  • Monoisotopic mass403.121124 Da
  • ChemSpider ID29054454

More details:

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

1H-1,2,3-Benzotriazole-5-carboxamide, N-[3-[(3-chloro-4-fluorophenyl)amino]-3-oxopropyl]-1-propyl- [ACD/Index Name]
N-{3-[(3-Chlor-4-fluorphenyl)amino]-3-oxopropyl}-1-propyl-1H-benzotriazol-5-carboxamid [German] [ACD/IUPAC Name]
N-{3-[(3-Chloro-4-fluorophenyl)amino]-3-oxopropyl}-1-propyl-1H-benzotriazole-5-carboxamide [ACD/IUPAC Name]
N-{3-[(3-Chloro-4-fluorophényl)amino]-3-oxopropyl}-1-propyl-1H-benzotriazole-5-carboxamide [French] [ACD/IUPAC Name]
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-propyl-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: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.84
ACD/KOC (pH 5.5): 1249.77
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.84
ACD/KOC (pH 7.4): 1249.77
Polar Surface Area: 89 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 288.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement