ChemSpider 2D Image | 4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl}benzamide | C21H20BrClN4O2

4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl}benzamide

  • Molecular FormulaC21H20BrClN4O2
  • Average mass475.766 Da
  • Monoisotopic mass474.045807 Da
  • ChemSpider ID34295857

More details:

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

4-(4-Brom-3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[(2-chlor-4-methylphenyl)amino]-2-oxoethyl}benzamid [German] [ACD/IUPAC Name]
4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl}benzamide [ACD/IUPAC Name]
4-(4-Bromo-3,5-diméthyl-1H-pyrazol-1-yl)-N-{2-[(2-chloro-4-méthylphényl)amino]-2-oxoéthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-[2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 675.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1004.65
ACD/KOC (pH 5.5): 4902.77
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1004.59
ACD/KOC (pH 7.4): 4902.46
Polar Surface Area: 76 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 323.7±7.0 cm3

Click to predict properties on the Chemicalize site


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