ChemSpider 2D Image | N-{2-[(3-Bromobenzyl)carbamoyl]phenyl}-2-chloro-4-nitrobenzamide | C21H15BrClN3O4

N-{2-[(3-Bromobenzyl)carbamoyl]phenyl}-2-chloro-4-nitrobenzamide

  • Molecular FormulaC21H15BrClN3O4
  • Average mass488.719 Da
  • Monoisotopic mass486.993439 Da
  • ChemSpider ID33655948

More details:

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

Benzamide, N-[2-[[[(3-bromophenyl)methyl]amino]carbonyl]phenyl]-2-chloro-4-nitro- [ACD/Index Name]
N-{2-[(3-Brombenzyl)carbamoyl]phenyl}-2-chlor-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-{2-[(3-Bromobenzyl)carbamoyl]phenyl}-2-chloro-4-nitrobenzamide [ACD/IUPAC Name]
N-{2-[(3-Bromobenzyl)carbamoyl]phényl}-2-chloro-4-nitrobenzamide [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: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3915.50
ACD/KOC (pH 5.5): 12981.08
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3914.20
ACD/KOC (pH 7.4): 12976.75
Polar Surface Area: 104 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 309.3±3.0 cm3

Click to predict properties on the Chemicalize site


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