ChemSpider 2D Image | 5-Bromo-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methylpropyl]-2-fluorobenzamide | C20H22BrFN2O

5-Bromo-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methylpropyl]-2-fluorobenzamide

  • Molecular FormulaC20H22BrFN2O
  • Average mass405.304 Da
  • Monoisotopic mass404.089935 Da
  • ChemSpider ID30062017

More details:

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

5-Brom-N-[2-(3,4-dihydro-2(1H)-isochinolinyl)-2-methylpropyl]-2-fluorbenzamid [German] [ACD/IUPAC Name]
5-Bromo-N-[2-(3,4-dihydro-2(1H)-isoquinoléinyl)-2-méthylpropyl]-2-fluorobenzamide [French] [ACD/IUPAC Name]
5-Bromo-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methylpropyl]-2-fluorobenzamide [ACD/IUPAC Name]
Benzamide, 5-bromo-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-methylpropyl]-2-fluoro- [ACD/Index 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: 489.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.8±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 8.44
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 70.90
ACD/KOC (pH 7.4): 353.85
Polar Surface Area: 32 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 298.7±3.0 cm3

Click to predict properties on the Chemicalize site


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