ChemSpider 2D Image | 5-fluoro-3,5-ADB-PFUPPYCA | C21H28F2N4O2

5-fluoro-3,5-ADB-PFUPPYCA

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID57621562

More details:

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

1969261-68-4 [RN]
1H-Pyrazole-5-carboxamide, N-[1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(5-fluoropentyl)-3-(4-fluorophenyl)- [ACD/Index Name]
5-fluoro-3,5-ADB-PFUPPYCA
N2-{[1-(5-Fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl}-3-methylvalinamide [ACD/IUPAC Name]
N2-{[1-(5-Fluoropentyl)-3-(4-fluorophényl)-1H-pyrazol-5-yl]carbonyl}-3-méthylvalinamide [French] [ACD/IUPAC Name]
N2-{[1-(5-Fluorpentyl)-3-(4-fluorphenyl)-1H-pyrazol-5-yl]carbonyl}-3-methylvalinamid [German] [ACD/IUPAC Name]
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
N-[1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.55
ACD/KOC (pH 5.5): 576.81
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 46.79
ACD/KOC (pH 7.4): 533.84
Polar Surface Area: 90 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 333.6±7.0 cm3

Click to predict properties on the Chemicalize site


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