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

N-(3-{[(3-Benzyl-5-bromo-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}phenyl)-2,4-dichlorobenzamide

  • Molecular FormulaC27H19BrCl2N2O2
  • Average mass554.262 Da
  • Monoisotopic mass552.000671 Da
  • ChemSpider ID5232184

More details:

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

Benzamide, N-[3-[[[5-bromo-6-oxo-3-(phenylmethyl)-2,4-cyclohexadien-1-ylidene]methyl]amino]phenyl]-2,4-dichloro- [ACD/Index Name]
N-(3-{[(3-Benzyl-5-brom-6-oxo-2,4-cyclohexadien-1-yliden)methyl]amino}phenyl)-2,4-dichlorbenzamid [German] [ACD/IUPAC Name]
N-(3-{[(3-Benzyl-5-bromo-6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}phenyl)-2,4-dichlorobenzamide [ACD/IUPAC Name]
N-(3-{[(3-Benzyl-5-bromo-6-oxo-2,4-cyclohexadién-1-ylidène)méthyl]amino}phényl)-2,4-dichlorobenzamide [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: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.3±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: 5.92
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15697.65
ACD/KOC (pH 5.5): 35072.42
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15697.18
ACD/KOC (pH 7.4): 35071.38
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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