ChemSpider 2D Image | 2-(3-Bromo-4-fluorophenyl)-N-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]acetamide | C18H12BrFN4O

2-(3-Bromo-4-fluorophenyl)-N-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]acetamide

  • Molecular FormulaC18H12BrFN4O
  • Average mass399.216 Da
  • Monoisotopic mass398.017853 Da
  • ChemSpider ID62280287

More details:

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

2-(3-Brom-4-fluorphenyl)-N-[1-(4-cyanphenyl)-1H-pyrazol-5-yl]acetamid [German] [ACD/IUPAC Name]
2-(3-Bromo-4-fluorophenyl)-N-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]acetamide [ACD/IUPAC Name]
2-(3-Bromo-4-fluorophényl)-N-[1-(4-cyanophényl)-1H-pyrazol-5-yl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 3-bromo-N-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]-4-fluoro- [ACD/Index Name]
2-(3-BROMO-4-FLUOROPHENYL)-N-[2-(4-CYANOPHENYL)PYRAZOL-3-YL]ACETAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.11
ACD/KOC (pH 5.5): 1626.79
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.11
ACD/KOC (pH 7.4): 1626.79
Polar Surface Area: 71 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 266.5±7.0 cm3

Click to predict properties on the Chemicalize site


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