ChemSpider 2D Image | 2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-N-isobutyl-6-methylnicotinamide | C23H29F2N3O

2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-N-isobutyl-6-methylnicotinamide

  • Molecular FormulaC23H29F2N3O
  • Average mass401.493 Da
  • Monoisotopic mass401.227875 Da
  • ChemSpider ID22723697

More details:

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

2-[1-(2,4-Difluorbenzyl)-4-piperidinyl]-N-isobutyl-6-methylnicotinamid [German] [ACD/IUPAC Name]
2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-N-isobutyl-6-methylnicotinamide [ACD/IUPAC Name]
2-[1-(2,4-Difluorobenzyl)-4-pipéridinyl]-N-isobutyl-6-méthylnicotinamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 2-[1-[(2,4-difluorophenyl)methyl]-4-piperidinyl]-6-methyl-N-(2-methylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 14.71
ACD/KOC (pH 5.5): 88.32
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 344.83
ACD/KOC (pH 7.4): 2070.52
Polar Surface Area: 45 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 348.2±3.0 cm3

Click to predict properties on the Chemicalize site


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