ChemSpider 2D Image | 5-fluoro ABICA | C19H26FN3O2

5-fluoro ABICA

  • Molecular FormulaC19H26FN3O2
  • Average mass347.427 Da
  • Monoisotopic mass347.200897 Da
  • ChemSpider ID30922443

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1801338-26-0 [RN]
1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(5-fluoropentyl)- [ACD/Index Name]
5-fluoro ABICA
N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-(5-FLUOROPENTYL)-1H-INDOLE-3-CARBOXAMIDE
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(5-fluorpentyl)-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
(2S)-2-{[1-(5-FLUOROPENTYL)-1H-INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(2S)-2-{[1-(5-FLUOROPENTYL)INDOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DTI87HQ3GT [DBID]
UNII:DTI87HQ3GT [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 95.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.38
ACD/KOC (pH 5.5): 723.71
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.38
ACD/KOC (pH 7.4): 723.71
Polar Surface Area: 77 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 289.4±7.0 cm3

Click to predict properties on the Chemicalize site


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