ChemSpider 2D Image | N-[4-({[5-Bromo-3-(2-chlorobenzyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)phenyl]-3-chlorobenzamide | C27H19BrCl2N2O2

N-[4-({[5-Bromo-3-(2-chlorobenzyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)phenyl]-3-chlorobenzamide

  • Molecular FormulaC27H19BrCl2N2O2
  • Average mass554.262 Da
  • Monoisotopic mass552.000671 Da
  • ChemSpider ID5232348

More details:

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

Benzamide, N-[4-[[[5-bromo-3-[(2-chlorophenyl)methyl]-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]amino]phenyl]-3-chloro- [ACD/Index Name]
N-[4-({[5-Brom-3-(2-chlorbenzyl)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}amino)phenyl]-3-chlorbenzamid [German] [ACD/IUPAC Name]
N-[4-({[5-Bromo-3-(2-chlorobenzyl)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}amino)phenyl]-3-chlorobenzamide [ACD/IUPAC Name]
N-[4-({[5-Bromo-3-(2-chlorobenzyl)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}amino)phényl]-3-chlorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.771
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16421.33
ACD/KOC (pH 5.5): 36222.31
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16421.35
ACD/KOC (pH 7.4): 36222.35
Polar Surface Area: 58 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

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