ChemSpider 2D Image | N-[(4-Bromo-2-fluorophenyl)(phenyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide | C22H23BrFN3O

N-[(4-Bromo-2-fluorophenyl)(phenyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID31614606

More details:

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

1H-Pyrazole-4-propanamide, N-[(4-bromo-2-fluorophenyl)phenylmethyl]-1,3,5-trimethyl- [ACD/Index Name]
N-[(4-Brom-2-fluorphenyl)(phenyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamid [German] [ACD/IUPAC Name]
N-[(4-Bromo-2-fluorophenyl)(phenyl)methyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide [ACD/IUPAC Name]
N-[(4-Bromo-2-fluorophényl)(phényl)méthyl]-3-(1,3,5-triméthyl-1H-pyrazol-4-yl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1209.61
ACD/KOC (pH 5.5): 5586.63
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1219.39
ACD/KOC (pH 7.4): 5631.81
Polar Surface Area: 47 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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