ChemSpider 2D Image | 5-Bromo-N-(3,5-dimethyladamantan-1-yl)-2-methoxy-3-methylbenzamide | C21H28BrNO2

5-Bromo-N-(3,5-dimethyladamantan-1-yl)-2-methoxy-3-methylbenzamide

  • Molecular FormulaC21H28BrNO2
  • Average mass406.357 Da
  • Monoisotopic mass405.130341 Da
  • ChemSpider ID23082907

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

5-Brom-N-(3,5-dimethyladamantan-1-yl)-2-methoxy-3-methylbenzamid [German] [ACD/IUPAC Name]
5-Bromo-N-(3,5-dimethyladamantan-1-yl)-2-methoxy-3-methylbenzamide [ACD/IUPAC Name]
5-Bromo-N-(3,5-diméthyladamantan-1-yl)-2-méthoxy-3-méthylbenzamide [French] [ACD/IUPAC Name]
5-bromo-N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-2-methoxy-3-methylbenzamide
Benzamide, 5-bromo-N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-2-methoxy-3-methyl- [ACD/Index Name]
5-Bromo-N-(3,5-dimethyl-adamantan-1-yl)-2-methoxy-3-methyl-benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.7±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12414.19
ACD/KOC (pH 5.5): 29649.36
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12414.19
ACD/KOC (pH 7.4): 29649.36
Polar Surface Area: 38 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

Click to predict properties on the Chemicalize site


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