ChemSpider 2D Image | N-{(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]ethyl}-5-bromo-2-furamide | C17H22BrNO2

N-{(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]ethyl}-5-bromo-2-furamide

  • Molecular FormulaC17H22BrNO2
  • Average mass352.266 Da
  • Monoisotopic mass351.083374 Da
  • ChemSpider ID62677682

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Furancarboxamide, 5-bromo-N-[(1S)-1-tricyclo[3.3.1.13,7]dec-1-ylethyl]- [ACD/Index Name]
N-{(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]ethyl}-5-brom-2-furamid [German] [ACD/IUPAC Name]
N-{(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]ethyl}-5-bromo-2-furamide [ACD/IUPAC Name]
N-{(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]éthyl}-5-bromo-2-furamide [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: 446.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.6±24.6 °C
Index of Refraction: 1.581
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1382.69
ACD/KOC (pH 5.5): 6162.12
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1382.69
ACD/KOC (pH 7.4): 6162.12
Polar Surface Area: 42 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


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