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

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

  • Molecular FormulaC21H26ClF3N4O
  • Average mass442.905 Da
  • Monoisotopic mass442.174713 Da
  • ChemSpider ID58903980

  • 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-isopropyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-(trans-4-{[(5-isopropyl-1H-pyrazol-3-yl)amino]methyl}cyclohexyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
2-Chloro-N-(trans-4-{[(5-isopropyl-1H-pyrazol-3-yl)amino]méthyl}cyclohexyl)-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[trans-4-[[[5-(1-methylethyl)-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: 574.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4348.77
ACD/KOC (pH 5.5): 12873.90
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5807.18
ACD/KOC (pH 7.4): 17191.30
Polar Surface Area: 70 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 339.0±5.0 cm3

Click to predict properties on the Chemicalize site


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