ChemSpider 2D Image | Methyl N-{[1-(4-fluorobenzyl)-1H-indol-3-yl]carbonyl}-L-valinate | C22H23FN2O3

Methyl N-{[1-(4-fluorobenzyl)-1H-indol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC22H23FN2O3
  • Average mass382.428 Da
  • Monoisotopic mass382.169281 Da
  • ChemSpider ID57621605
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Valine, N-[[1-[(4-fluorophenyl)methyl]-1H-indol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(4-fluorobenzyl)-1H-indol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorbenzyl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
?N-[[1-[(4-fluorophenyl)methyl]-1H-indol-3-yl]carbonyl]-L-valine, methyl ester?
1971007-90-5 [RN]
​N-[[1-[(4-fluorophenyl)methyl]-1H-indol-3-yl]carbonyl]-L-valine, methyl ester​
AMB-FUBICA [ACD/IUPAC Name]
METHYL (2S)-2-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDOL-3-YL}FORMAMIDO)-3-METHYLBUTANOATE
METHYL (2S)-2-({1-[(4-FLUOROPHENYL)METHYL]INDOL-3-YL}FORMAMIDO)-3-METHYLBUTANOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 599.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.0±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 803.06
ACD/KOC (pH 5.5): 4176.57
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 803.06
ACD/KOC (pH 7.4): 4176.56
Polar Surface Area: 60 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 317.9±7.0 cm3

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