ChemSpider 2D Image | N-{2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}-Nalpha-(2,5-dichlorobenzoyl)-4-fluorophenylalaninamide | C29H29Cl2FN2O4

N-{2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}-Nα-(2,5-dichlorobenzoyl)-4-fluorophenylalaninamide

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID121118141

More details:

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

Benzenepropanamide, N-[2-[3-(cyclopentyloxy)phenyl]-2-hydroxyethyl]-α-[(2,5-dichlorobenzoyl)amino]-4-fluoro- [ACD/Index Name]
N-{2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}-Nα-(2,5-dichlorbenzoyl)-4-fluorphenylalaninamid [German] [ACD/IUPAC Name]
N-{2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}-Nα-(2,5-dichlorobenzoyl)-4-fluorophenylalaninamide [ACD/IUPAC Name]
N-{2-[3-(Cyclopentyloxy)phényl]-2-hydroxyéthyl}-Nα-(2,5-dichlorobenzoyl)-4-fluorophénylalaninamide [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: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8630.01
ACD/KOC (pH 5.5): 22855.30
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8629.41
ACD/KOC (pH 7.4): 22853.71
Polar Surface Area: 88 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

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