ChemSpider 2D Image | 2-[4-(4-Bromo-2-fluorobenzyl)-1-piperazinyl]-N-(3-phenyl-2-propyn-1-yl)acetamide | C22H23BrFN3O

2-[4-(4-Bromo-2-fluorobenzyl)-1-piperazinyl]-N-(3-phenyl-2-propyn-1-yl)acetamide

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID31845001

More details:

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

1-Piperazineacetamide, 4-[(4-bromo-2-fluorophenyl)methyl]-N-(3-phenyl-2-propyn-1-yl)- [ACD/Index Name]
2-[4-(4-Brom-2-fluorbenzyl)-1-piperazinyl]-N-(3-phenyl-2-propin-1-yl)acetamid [German] [ACD/IUPAC Name]
2-[4-(4-Bromo-2-fluorobenzyl)-1-piperazinyl]-N-(3-phenyl-2-propyn-1-yl)acetamide [ACD/IUPAC Name]
2-[4-(4-Bromo-2-fluorobenzyl)-1-pipérazinyl]-N-(3-phényl-2-propyn-1-yl)acétamide [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: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 169.10
ACD/KOC (pH 5.5): 1043.80
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 430.84
ACD/KOC (pH 7.4): 2659.40
Polar Surface Area: 36 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 312.6±5.0 cm3

Click to predict properties on the Chemicalize site


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