ChemSpider 2D Image | 2-(4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl)-N-(2,2,2-trifluoroethyl)-2H-tetrazole-5-carboxamide | C21H21F3N6O2

2-(4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl)-N-(2,2,2-trifluoroethyl)-2H-tetrazole-5-carboxamide

  • Molecular FormulaC21H21F3N6O2
  • Average mass446.426 Da
  • Monoisotopic mass446.167816 Da
  • ChemSpider ID30677981

More details:

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

2-(4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl)-N-(2,2,2-trifluorethyl)-2H-tetrazol-5-carboxamid [German] [ACD/IUPAC Name]
2-(4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl)-N-(2,2,2-trifluoroethyl)-2H-tetrazole-5-carboxamide [ACD/IUPAC Name]
2-(4-{[4-(2-Méthyl-2-propanyl)benzoyl]amino}phényl)-N-(2,2,2-trifluoroéthyl)-2H-tétrazole-5-carboxamide [French] [ACD/IUPAC Name]
2H-Tetrazole-5-carboxamide, 2-[4-[[4-(1,1-dimethylethyl)benzoyl]amino]phenyl]-N-(2,2,2-trifluoroethyl)- [ACD/Index Name]
1396802-39-3 [RN]
2-(4-(4-(tert-butyl)benzamido)phenyl)-N-(2,2,2-trifluoroethyl)-2H-tetrazole-5-carboxamide
2-[4-(4-tert-butylbenzamido)phenyl]-N-(2,2,2-trifluoroethyl)-2H-1,2,3,4-tetrazole-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.82
ACD/KOC (pH 5.5): 944.39
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 73.36
ACD/KOC (pH 7.4): 687.15
Polar Surface Area: 102 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 330.5±7.0 cm3

Click to predict properties on the Chemicalize site


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