ChemSpider 2D Image | N-[(1R)-2-(Butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(2-methyl-2-propanyl)-3,5-dinitrobenzamide | C23H26Cl2N4O6

N-[(1R)-2-(Butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(2-methyl-2-propanyl)-3,5-dinitrobenzamide

  • Molecular FormulaC23H26Cl2N4O6
  • Average mass525.382 Da
  • Monoisotopic mass524.122925 Da
  • ChemSpider ID62466691

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, N-butyl-2,6-dichloro-α-[(1,1-dimethylethyl)(3,5-dinitrobenzoyl)amino]-, (αR)- [ACD/Index Name]
N-[(1R)-2-(Butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(2-methyl-2-propanyl)-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[(1R)-2-(Butylamino)-1-(2,6-dichlorophényl)-2-oxoéthyl]-N-(2-méthyl-2-propanyl)-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
N-[(1R)-2-(Butylamino)-1-(2,6-dichlorphenyl)-2-oxoethyl]-N-(2-methyl-2-propanyl)-3,5-dinitrobenzamid [German] [ACD/IUPAC 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: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4166.73
ACD/KOC (pH 5.5): 13571.98
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4166.73
ACD/KOC (pH 7.4): 13571.98
Polar Surface Area: 141 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 391.8±3.0 cm3

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