ChemSpider 2D Image | 2-Chloro-N-(trans-4-{[(5-ethyl-4-methyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluoromethyl)benzamide | C21H26ClF3N4O

2-Chloro-N-(trans-4-{[(5-ethyl-4-methyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluoromethyl)benzamide

  • Molecular FormulaC21H26ClF3N4O
  • Average mass442.905 Da
  • Monoisotopic mass442.174713 Da
  • ChemSpider ID58906246

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Chlor-N-(trans-4-{[(5-ethyl-4-methyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-(trans-4-{[(5-ethyl-4-methyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
2-Chloro-N-(trans-4-{[(5-éthyl-4-méthyl-1H-pyrazol-3-yl)amino]méthyl}cyclohexyl)-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[trans-4-[[(5-ethyl-4-methyl-1H-pyrazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)- [ACD/Index 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: 587.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 4271.57
ACD/KOC (pH 5.5): 11347.08
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8431.77
ACD/KOC (pH 7.4): 22398.32
Polar Surface Area: 70 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

Click to predict properties on the Chemicalize site


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