ChemSpider 2D Image | 3-{[5-(4-Chlorophenyl)-5-oxopentanoyl](methyl)amino}-N-methyl-N-[1-(3-phenylpropyl)-3-pyrrolidinyl]-1-pyrrolidinecarboxamide | C31H41ClN4O3

3-{[5-(4-Chlorophenyl)-5-oxopentanoyl](methyl)amino}-N-methyl-N-[1-(3-phenylpropyl)-3-pyrrolidinyl]-1-pyrrolidinecarboxamide

  • Molecular FormulaC31H41ClN4O3
  • Average mass553.135 Da
  • Monoisotopic mass552.286743 Da
  • ChemSpider ID23245308

More details:

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

1-Pyrrolidinecarboxamide, 3-[[5-(4-chlorophenyl)-1,5-dioxopentyl]methylamino]-N-methyl-N-[1-(3-phenylpropyl)-3-pyrrolidinyl]- [ACD/Index Name]
3-{[5-(4-Chlorophenyl)-5-oxopentanoyl](methyl)amino}-N-methyl-N-[1-(3-phenylpropyl)-3-pyrrolidinyl]-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
3-{[5-(4-Chlorophényl)-5-oxopentanoyl](méthyl)amino}-N-méthyl-N-[1-(3-phénylpropyl)-3-pyrrolidinyl]-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-{[5-(4-chlorophenyl)-5-oxopentanoyl](methyl)amino}-N-methyl-N-[1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
3-{[5-(4-Chlorphenyl)-5-oxopentanoyl](methyl)amino}-N-methyl-N-[1-(3-phenylpropyl)-3-pyrrolidinyl]-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-{[5-(4-Chloro-phenyl)-5-oxo-pentanoyl]-methyl-amino}-pyrrolidine-1-carboxylic acid methyl-[1-(3-phenyl-propyl)-pyrrolidin-3-yl]-amide
CHEMBL180658

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 156.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 6.01
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 18.08
ACD/KOC (pH 7.4): 79.47
Polar Surface Area: 64 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 449.0±5.0 cm3

Click to predict properties on the Chemicalize site


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