ChemSpider 2D Image | N~2~-{[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-yl]acetyl}-N-(3,4,5-trimethoxyphenyl)alaninamide | C28H27ClFN3O5

N2-{[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-yl]acetyl}-N-(3,4,5-trimethoxyphenyl)alaninamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID120834234

More details:

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

1H-Indole-3-acetamide, 5-chloro-2-(4-fluorophenyl)-N-[1-methyl-2-oxo-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]- [ACD/Index Name]
N2-{[5-Chlor-2-(4-fluorphenyl)-1H-indol-3-yl]acetyl}-N-(3,4,5-trimethoxyphenyl)alaninamid [German] [ACD/IUPAC Name]
N2-{[5-Chloro-2-(4-fluorophenyl)-1H-indol-3-yl]acetyl}-N-(3,4,5-trimethoxyphenyl)alaninamide [ACD/IUPAC Name]
N2-{2-[5-Chloro-2-(4-fluorophényl)-1H-indol-3-yl]acétyl}-N-(3,4,5-triméthoxyphényl)alaninamide [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: 811.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 807.97
ACD/KOC (pH 5.5): 4194.81
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 807.96
ACD/KOC (pH 7.4): 4194.78
Polar Surface Area: 102 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

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