ChemSpider 2D Image | 2-[(6-{[(3-Chloro-4-fluorophenyl)amino]methyl}-1-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-(4-fluorophenyl)acetamide | C25H22ClF2N5O3

2-[(6-{[(3-Chloro-4-fluorophenyl)amino]methyl}-1-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-(4-fluorophenyl)acetamide

  • Molecular FormulaC25H22ClF2N5O3
  • Average mass513.924 Da
  • Monoisotopic mass513.137939 Da
  • ChemSpider ID124221684

More details:

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

2-[(6-{[(3-Chlor-4-fluorphenyl)amino]methyl}-1-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-(4-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(6-{[(3-Chloro-4-fluorophenyl)amino]methyl}-1-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-(4-fluorophenyl)acetamide [ACD/IUPAC Name]
2-[(6-{[(3-Chloro-4-fluorophényl)amino]méthyl}-1-[2-(1H-imidazol-4-yl)éthyl]-4-oxo-1,4-dihydro-3-pyridinyl)oxy]-N-(4-fluorophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-[[(3-chloro-4-fluorophenyl)amino]methyl]-1,4-dihydro-1-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-3-pyridinyl]oxy]-N-(4-fluorophenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 828.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 6.48
ACD/KOC (pH 5.5): 41.27
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 207.48
ACD/KOC (pH 7.4): 1321.30
Polar Surface Area: 99 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 353.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement