ChemSpider 2D Image | 3-Acetamido-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methyl-1-adamantanecarboxamide | C22H28FN3O3

3-Acetamido-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methyl-1-adamantanecarboxamide

  • Molecular FormulaC22H28FN3O3
  • Average mass401.474 Da
  • Monoisotopic mass401.211456 Da
  • ChemSpider ID22558434

More details:

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

3-Acetamido-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methyl-1-adamantanecarboxamide [ACD/IUPAC Name]
3-Acétamido-N-{2-[(3-fluorophényl)amino]-2-oxoéthyl}-N-méthyl-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
3-Acetamido-N-{2-[(3-fluorphenyl)amino]-2-oxoethyl}-N-methyl-1-adamantancarboxamid [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, 3-(acetylamino)-N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.42
ACD/KOC (pH 5.5): 753.66
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.42
ACD/KOC (pH 7.4): 753.65
Polar Surface Area: 79 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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