ChemSpider 2D Image | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE | C18H24ClN3O3

5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE

  • Molecular FormulaC18H24ClN3O3
  • Average mass365.854 Da
  • Monoisotopic mass365.150604 Da
  • ChemSpider ID25057437
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-2-carboxamide, 5-chloro-N-[(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl]- [ACD/Index Name]
5-Chlor-N-{(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl}-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE
5-Chloro-N-{(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl}-1H-indole-2-carboxamide [ACD/IUPAC Name]
5-Chloro-N-{(2R)-2-[cyclopentyl(2-hydroxyéthyl)amino]-2-hydroxyéthyl}-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
5-chloro-N-[(2R)-2-[cyclopentyl(2-hydroxyethyl)amino]-2-hydroxyethyl]-1H-indole-2-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 44.36
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.94
ACD/KOC (pH 7.4): 436.69
Polar Surface Area: 89 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

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