ChemSpider 2D Image | 4-{[2-(5-Chloro-2-fluorophenyl)-5-isopropyl-4-pyridinyl]amino}-N-(1,3-dihydroxy-2-propanyl)nicotinamide | C23H24ClFN4O3

4-{[2-(5-Chloro-2-fluorophenyl)-5-isopropyl-4-pyridinyl]amino}-N-(1,3-dihydroxy-2-propanyl)nicotinamide

  • Molecular FormulaC23H24ClFN4O3
  • Average mass458.913 Da
  • Monoisotopic mass458.152100 Da
  • ChemSpider ID103794068

More details:

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

3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)-5-(1-methylethyl)-4-pyridinyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]- [ACD/Index Name]
4-{[2-(5-Chlor-2-fluorphenyl)-5-isopropyl-4-pyridinyl]amino}-N-(1,3-dihydroxy-2-propanyl)nicotinamid [German] [ACD/IUPAC Name]
4-{[2-(5-Chloro-2-fluorophenyl)-5-isopropyl-4-pyridinyl]amino}-N-(1,3-dihydroxy-2-propanyl)nicotinamide [ACD/IUPAC Name]
4-{[2-(5-Chloro-2-fluorophényl)-5-isopropyl-4-pyridinyl]amino}-N-(1,3-dihydroxy-2-propanyl)nicotinamide [French] [ACD/IUPAC Name]
1801333-55-0 [RN]
1Kks7U3X86
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
PF-06952229

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1549.27
ACD/KOC (pH 5.5): 6385.33
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1816.47
ACD/KOC (pH 7.4): 7486.60
Polar Surface Area: 107 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

Click to predict properties on the Chemicalize site


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