ChemSpider 2D Image | 2-[{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}(methyl)amino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide | C21H21Cl2N5O2

2-[{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}(methyl)amino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide

  • Molecular FormulaC21H21Cl2N5O2
  • Average mass446.330 Da
  • Monoisotopic mass445.107239 Da
  • ChemSpider ID21704256

More details:

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

2-[{2-[(3,4-Dichlorophenyl)amino]-2-oxoethyl}(methyl)amino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide [ACD/IUPAC Name]
2-[{2-[(3,4-Dichlorophényl)amino]-2-oxoéthyl}(méthyl)amino]-N-(3-méthyl-1-phényl-1H-pyrazol-5-yl)acétamide [French] [ACD/IUPAC Name]
2-[{2-[(3,4-Dichlorphenyl)amino]-2-oxoethyl}(methyl)amino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]methylamino]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- [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: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.28
ACD/KOC (pH 5.5): 1829.96
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.40
ACD/KOC (pH 7.4): 1915.87
Polar Surface Area: 79 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 332.1±7.0 cm3

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