ChemSpider 2D Image | N~2~-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]acetyl}-3-methyl-L-valinamide | C23H26FN3O2

N2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]acetyl}-3-methyl-L-valinamide

  • Molecular FormulaC23H26FN3O2
  • Average mass395.470 Da
  • Monoisotopic mass395.200897 Da
  • ChemSpider ID114876989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-acetamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
N2-{[1-(4-Fluorbenzyl)-1H-indol-3-yl]acetyl}-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]acetyl}-3-methyl-L-valinamide [ACD/IUPAC Name]
N2-{2-[1-(4-Fluorobenzyl)-1H-indol-3-yl]acétyl}-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 718.23
ACD/KOC (pH 5.5): 3855.81
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 718.23
ACD/KOC (pH 7.4): 3855.81
Polar Surface Area: 77 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 329.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement