ChemSpider 2D Image | 1-[(4-Chlorophenyl)amino]-1-{[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino}-2-butanone | C21H21Cl3N4O

1-[(4-Chlorophenyl)amino]-1-{[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino}-2-butanone

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID23108536

More details:






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

1-[(4-Chlorophenyl)amino]-1-{[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino}-2-butanone [ACD/IUPAC Name]
1-[(4-Chlorophényl)amino]-1-{[1-(2,4-dichlorophényl)-2-(1H-imidazol-1-yl)éthyl]amino}-2-butanone [French] [ACD/IUPAC Name]
1-[(4-Chlorphenyl)amino]-1-{[1-(2,4-dichlorphenyl)-2-(1H-imidazol-1-yl)ethyl]amino}-2-butanon [German] [ACD/IUPAC Name]
2-Butanone, 1-[(4-chlorophenyl)amino]-1-[[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino]- [ACD/Index Name]
1-(4-Chloro-phenylamino)-1-[1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethylamino]-butan-2-one
1-[(4-chlorophenyl)amino]-1-{[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]amino}butan-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 448.66
ACD/KOC (pH 5.5): 1448.18
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3871.93
ACD/KOC (pH 7.4): 12497.79
Polar Surface Area: 59 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

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