ChemSpider 2D Image | 3-[5,7-Difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]propanamide | C21H18F3N3O3

3-[5,7-Difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]propanamide

  • Molecular FormulaC21H18F3N3O3
  • Average mass417.381 Da
  • Monoisotopic mass417.130035 Da
  • ChemSpider ID115009344

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-3-propanamide, 5,7-difluoro-2-(4-fluorophenyl)-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]- [ACD/Index Name]
3-[5,7-Difluor-2-(4-fluorphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]propanamid [German] [ACD/IUPAC Name]
3-[5,7-Difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]propanamide [ACD/IUPAC Name]
3-[5,7-Difluoro-2-(4-fluorophényl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]propanamide [French] [ACD/IUPAC Name]
2446816-88-0 [RN]
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
Inaxaplin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 797.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.2±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.80
ACD/KOC (pH 5.5): 262.22
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.80
ACD/KOC (pH 7.4): 262.22
Polar Surface Area: 94 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 279.6±5.0 cm3

Click to predict properties on the Chemicalize site


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