ChemSpider 2D Image | 4-(2,5-Difluorophenyl)-N-(3-fluoro-1-methyl-4-piperidinyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | C25H28F3N3O2

4-(2,5-Difluorophenyl)-N-(3-fluoro-1-methyl-4-piperidinyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide

  • Molecular FormulaC25H28F3N3O2
  • Average mass459.504 Da
  • Monoisotopic mass459.213348 Da
  • ChemSpider ID22377458

More details:

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

1H-Pyrrole-1-carboxamide, 4-(2,5-difluorophenyl)-N-(3-fluoro-1-methyl-4-piperidinyl)-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl- [ACD/Index Name]
4-(2,5-Difluorophenyl)-N-(3-fluoro-1-methyl-4-piperidinyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide [ACD/IUPAC Name]
4-(2,5-Difluorophényl)-N-(3-fluoro-1-méthyl-4-pipéridinyl)-2-(hydroxyméthyl)-N-méthyl-2-phényl-2,5-dihydro-1H-pyrrole-1-carboxamide [French] [ACD/IUPAC Name]
4-(2,5-Difluorphenyl)-N-(3-fluor-1-methyl-4-piperidinyl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrol-1-carboxamid [German] [ACD/IUPAC Name]
4-(2,5-DIFLUOROPHENYL)-N-(3-FLUORO-1-METHYLPIPERIDIN-4-YL)-2-(HYDROXYMETHYL)-N-METHYL-2-PHENYL-5H-PYRROLE-1-CARBOXAMIDE
ALR-3456

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 9.64
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 62.88
ACD/KOC (pH 7.4): 474.51
Polar Surface Area: 47 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 346.5±5.0 cm3

Click to predict properties on the Chemicalize site


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