ChemSpider 2D Image | N-[2-(3,4-Dichlorophenyl)-4-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)butyl]-N-methylbenzamide | C30H32Cl2N2O2

N-[2-(3,4-Dichlorophenyl)-4-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)butyl]-N-methylbenzamide

  • Molecular FormulaC30H32Cl2N2O2
  • Average mass523.493 Da
  • Monoisotopic mass522.184082 Da
  • ChemSpider ID8068654

More details:






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

Benzamide, N-[2-(3,4-dichlorophenyl)-4-spiro[isobenzofuran-1(3H),4'-piperidin]-1'-ylbutyl]-N-methyl- [ACD/Index Name]
N-[2-(3,4-Dichlorophenyl)-4-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)butyl]-N-methylbenzamide [ACD/IUPAC Name]
N-[2-(3,4-Dichlorophényl)-4-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)butyl]-N-méthylbenzamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Dichlorphenyl)-4-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)butyl]-N-methylbenzamid [German] [ACD/IUPAC Name]
1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)carboxamidobutyl]spiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)]
CHEMBL39049
YM-35375

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 80.91
ACD/KOC (pH 5.5): 115.26
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 1630.03
ACD/KOC (pH 7.4): 2322.14
Polar Surface Area: 33 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

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