ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]acetamide | C23H28Cl2N2O3

2-(3,4-Dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]acetamide

  • Molecular FormulaC23H28Cl2N2O3
  • Average mass451.386 Da
  • Monoisotopic mass450.147705 Da
  • ChemSpider ID23163331
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-(3,4-Dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]acetamide [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-N-méthyl-N-[(5R,7S,8S)-3-méthylène-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]déc-7-yl]acétamide [French] [ACD/IUPAC Name]
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-3-methylidene-2-oxo-8-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-7-yl]acetamide
2-(3,4-Dichlorphenyl)-N-methyl-N-[(5R,7S,8S)-3-methylen-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]acetamid [German] [ACD/IUPAC Name]
Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(5R,7S,8S)-3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]- [ACD/Index Name]
2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-oxo-8-pyrrolidin-1-yl-1-oxa-spiro[4.5]dec-7-yl)-acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 47.14
ACD/KOC (pH 7.4): 238.46
Polar Surface Area: 50 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 342.6±5.0 cm3

Click to predict properties on the Chemicalize site






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