ChemSpider 2D Image | N-(5-Bromo-2-fluorobenzyl)-N-ethyl-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide | C22H23BrFN3O2

N-(5-Bromo-2-fluorobenzyl)-N-ethyl-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID33653500

More details:






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

1H-Pyrazole-1-butanamide, N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4,5-dihydro-γ-oxo-3-phenyl- [ACD/Index Name]
N-(5-Brom-2-fluorbenzyl)-N-ethyl-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-ethyl-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-éthyl-4-oxo-4-(3-phényl-4,5-dihydro-1H-pyrazol-1-yl)butanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.05
ACD/KOC (pH 5.5): 1615.59
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.05
ACD/KOC (pH 7.4): 1615.60
Polar Surface Area: 53 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 336.5±7.0 cm3

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