ChemSpider 2D Image | trans-N-{2'-[(4-Fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide | C24H25FN4O2

trans-N-{2'-[(4-Fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide

  • Molecular FormulaC24H25FN4O2
  • Average mass420.479 Da
  • Monoisotopic mass420.196167 Da
  • ChemSpider ID24681915
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Cyclohexanecarboxamide, N-[2'-[(4-fluorophenyl)amino][4,4'-bipyridin]-2-yl]-4-methoxy-, trans- [ACD/Index Name]
trans-N-{2'-[(4-Fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-{2'-[(4-Fluorophényl)amino]-4,4'-bipyridin-2-yl}-4-méthoxycyclohexanecarboxamide [French] [ACD/IUPAC Name]
trans-N-{2'-[(4-Fluorphenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexancarboxamid [German] [ACD/IUPAC Name]
(1r,4r)-N-(4-{2-[(4-fluorophenyl)amino]pyridin-4-yl}pyridin-2-yl)-4-methoxycyclohexane-1-carboxamide
CHEMBL203631
JNK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 566.09
ACD/KOC (pH 5.5): 3221.54
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.74
ACD/KOC (pH 7.4): 3327.69
Polar Surface Area: 76 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 329.9±5.0 cm3

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