ChemSpider 2D Image | N-{3-[Butyl(ethyl)amino]-1-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl}-2-chloro-6-fluorobenzamide | C21H22Cl2FN5O

N-{3-[Butyl(ethyl)amino]-1-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl}-2-chloro-6-fluorobenzamide

  • Molecular FormulaC21H22Cl2FN5O
  • Average mass450.337 Da
  • Monoisotopic mass449.118530 Da
  • ChemSpider ID123165481

More details:

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

Benzamide, N-[3-(butylethylamino)-1-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-chloro-6-fluoro- [ACD/Index Name]
N-{3-[Butyl(ethyl)amino]-1-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl}-2-chloro-6-fluorobenzamide [ACD/IUPAC Name]
N-{3-[Butyl(éthyl)amino]-1-(4-chlorophényl)-1H-1,2,4-triazol-5-yl}-2-chloro-6-fluorobenzamide [French] [ACD/IUPAC Name]
N-{3-[Butyl(ethyl)amino]-1-(4-chlorphenyl)-1H-1,2,4-triazol-5-yl}-2-chlor-6-fluorbenzamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5810.87
ACD/KOC (pH 5.5): 17212.58
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5808.02
ACD/KOC (pH 7.4): 17204.16
Polar Surface Area: 63 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 337.7±7.0 cm3

Click to predict properties on the Chemicalize site


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