ChemSpider 2D Image | N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nalpha-(3,4,5-trimethoxybenzoyl)phenylalaninamide | C28H31ClFN3O5

N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamide

  • Molecular FormulaC28H31ClFN3O5
  • Average mass544.014 Da
  • Monoisotopic mass543.193604 Da
  • ChemSpider ID120976550

More details:

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

Benzenepropanamide, N-[2-[(4-chlorophenyl)methylamino]ethyl]-4-fluoro-α-[(3,4,5-trimethoxybenzoyl)amino]- [ACD/Index Name]
N-{2-[(4-Chlorophenyl)(methyl)amino]ethyl}-4-fluoro-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamide [ACD/IUPAC Name]
N-{2-[(4-Chlorophényl)(méthyl)amino]éthyl}-4-fluoro-Nα-(3,4,5-triméthoxybenzoyl)phénylalaninamide [French] [ACD/IUPAC Name]
N-{2-[(4-Chlorphenyl)(methyl)amino]ethyl}-4-fluor-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamid [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: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.25
ACD/KOC (pH 5.5): 2433.56
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 404.95
ACD/KOC (pH 7.4): 2558.01
Polar Surface Area: 89 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

Click to predict properties on the Chemicalize site


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