ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-N-methylacetamide | C23H26Cl2N2O2

2-(3,4-Dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-N-methylacetamide

  • Molecular FormulaC23H26Cl2N2O2
  • Average mass433.371 Da
  • Monoisotopic mass432.137146 Da
  • ChemSpider ID25045395

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

153881-56-2 [RN]
2-(3,4-Dichlorophényl)-N-[(1S,2S)-5-hydroxy-2-(1-pyrrolidinyl)-1,2,3,4-tétrahydro-1-naphtalényl]-N-méthylacétamide [French] [ACD/IUPAC Name]
2-(3,4-Dichlorophenyl)-N-[(1S,2S)-5-hydroxy-2-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-N-methylacetamide [ACD/IUPAC Name]
2-(3,4-Dichlorphenyl)-N-[(1S,2S)-5-hydroxy-2-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-N-methylacetamid [German] [ACD/IUPAC Name]
Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(1S,2S)-1,2,3,4-tetrahydro-5-hydroxy-2-(1-pyrrolidinyl)-1-naphthalenyl]- [ACD/Index Name]
rel-3,4-Dichloro-N-methyl-N-[(1R,2R)-1,2,3,4-tetrahydro-5-hydroxy-2-(1-pyrrolidinyl)-1-naphthalenyl]benzeneacetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 9.94
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 90.29
ACD/KOC (pH 7.4): 446.25
Polar Surface Area: 44 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 321.2±5.0 cm3

Click to predict properties on the Chemicalize site


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