ChemSpider 2D Image | Nalpha-(2-Chlorobenzoyl)-N-[1-(2,4-difluorophenyl)ethyl]-L-tryptophanamide | C26H22ClF2N3O2

Nα-(2-Chlorobenzoyl)-N-[1-(2,4-difluorophenyl)ethyl]-L-tryptophanamide

  • Molecular FormulaC26H22ClF2N3O2
  • Average mass481.922 Da
  • Monoisotopic mass481.136871 Da
  • ChemSpider ID22929990

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[(2-chlorobenzoyl)amino]-N-[1-(2,4-difluorophenyl)ethyl]-, (αS)- [ACD/Index Name]
Nα-(2-Chlorbenzoyl)-N-[1-(2,4-difluorphenyl)ethyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-(2-Chlorobenzoyl)-N-[1-(2,4-difluorophenyl)ethyl]-L-tryptophanamide [ACD/IUPAC Name]
Nα-(2-Chlorobenzoyl)-N-[1-(2,4-difluorophényl)éthyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1603.64
ACD/KOC (pH 5.5): 6851.93
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1603.62
ACD/KOC (pH 7.4): 6851.85
Polar Surface Area: 74 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 357.1±3.0 cm3

Click to predict properties on the Chemicalize site


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