ChemSpider 2D Image | Nalpha-(3-Bromobenzyl)-Nalpha-[(2,5-dimethylphenyl)acetyl]-N-ethylphenylalaninamide | C28H31BrN2O2

Nα-(3-Bromobenzyl)-Nα-[(2,5-dimethylphenyl)acetyl]-N-ethylphenylalaninamide

  • Molecular FormulaC28H31BrN2O2
  • Average mass507.462 Da
  • Monoisotopic mass506.156891 Da
  • ChemSpider ID68474542

More details:

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

Benzenepropanamide, α-[[(3-bromophenyl)methyl][2-(2,5-dimethylphenyl)acetyl]amino]-N-ethyl- [ACD/Index Name]
Nα-(3-Brombenzyl)-Nα-[(2,5-dimethylphenyl)acetyl]-N-ethylphenylalaninamid [German] [ACD/IUPAC Name]
Nα-(3-Bromobenzyl)-Nα-[(2,5-dimethylphenyl)acetyl]-N-ethylphenylalaninamide [ACD/IUPAC Name]
Nα-(3-Bromobenzyl)-Nα-[2-(2,5-diméthylphényl)acétyl]-N-éthylphénylalaninamide [French] [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: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19250.81
ACD/KOC (pH 5.5): 40587.76
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19250.81
ACD/KOC (pH 7.4): 40587.76
Polar Surface Area: 49 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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