ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide | C20H28FN3O2

N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide

  • Molecular FormulaC20H28FN3O2
  • Average mass361.454 Da
  • Monoisotopic mass361.216553 Da
  • ChemSpider ID52085200

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1801338-27-1 [RN]
1H-Indole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(5-fluoropentyl)- [ACD/Index Name]
N-((1S)-1-AMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-1-(5-FLUOROPENTAN-1-YL)-1H-INDOLE-3-CARBOXAMIDE
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-1-(5-fluoropentyl)-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(5-fluorpentyl)-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
156856-31-4 [RN]

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

U9H280G9O7 [DBID]
UNII:U9H280G9O7 [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: 612.4±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: 324.2±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 163.23
ACD/KOC (pH 5.5): 1335.15
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 163.23
ACD/KOC (pH 7.4): 1335.15
Polar Surface Area: 77 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 310.0±7.0 cm3

Click to predict properties on the Chemicalize site


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