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ChemSpider 2D Image | N-(2-{[(3R,5S)-Adamantan-1-yl(methyl)amino]methyl}-4,6-dibromophenyl)acetamide | C20H26Br2N2O


  • Molecular FormulaC20H26Br2N2O
  • Average mass470.241 Da
  • Monoisotopic mass468.041168 Da
  • ChemSpider ID32814938
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Date of deprecation: 10:12, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Acetamide, N-[2,4-dibromo-6-[(methyltricyclo[,7]dec-1-ylamino)methyl]phenyl]- [ACD/Index Name]
Acetamide, N-[2,4-dibromo-6-[[methyl-(3R,5S)-tricyclo[,7]dec-1-ylamino]methyl]phenyl]- [ACD/Index Name]
N-(2-{[(3R,5S)-Adamantan-1-yl(methyl)amino]methyl}-4,6-dibromophenyl)acetamide [ACD/IUPAC Name]
N-(2-{[(3R,5S)-Adamantan-1-yl(méthyl)amino]méthyl}-4,6-dibromophényl)acétamide [French] [ACD/IUPAC Name]
N-(2-{[(3R,5S)-Adamantan-1-yl(methyl)amino]methyl}-4,6-dibromphenyl)acetamid [German] [ACD/IUPAC Name]
N-(2-{[(3s,5s,7s)-Adamantan-1-yl(methyl)amino]methyl}-4,6-dibromophenyl)acetamide [ACD/IUPAC Name]
N-(2-{[(3s,5s,7s)-Adamantan-1-yl(méthyl)amino]méthyl}-4,6-dibromophényl)acétamide [French] [ACD/IUPAC Name]
N-(2-{[(3s,5s,7s)-Adamantan-1-yl(methyl)amino]methyl}-4,6-dibromphenyl)acetamid [German] [ACD/IUPAC Name]
54785-02-3 [RN]
adamexine [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 21.13
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 257.58
ACD/KOC (pH 7.4): 908.80
Polar Surface Area: 32 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 301.3±5.0 cm3

Click to predict properties on the Chemicalize site