ChemSpider 2D Image | 2-Chloro-N-[4-(3-methyl-1-piperidinyl)butyl]-5-(methylsulfanyl)benzamide | C18H27ClN2OS

2-Chloro-N-[4-(3-methyl-1-piperidinyl)butyl]-5-(methylsulfanyl)benzamide

  • Molecular FormulaC18H27ClN2OS
  • Average mass354.938 Da
  • Monoisotopic mass354.153259 Da
  • ChemSpider ID30509370

More details:

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

2-Chlor-N-[4-(3-methyl-1-piperidinyl)butyl]-5-(methylsulfanyl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-[4-(3-methyl-1-piperidinyl)butyl]-5-(methylsulfanyl)benzamide [ACD/IUPAC Name]
2-Chloro-N-[4-(3-méthyl-1-pipéridinyl)butyl]-5-(méthylsulfanyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[4-(3-methyl-1-piperidinyl)butyl]-5-(methylthio)- [ACD/Index Name]
2-CHLORO-N-[4-(3-METHYLPIPERIDIN-1-YL)BUTYL]-5-(METHYLSULFANYL)BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.2±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.73
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 4.85
ACD/KOC (pH 7.4): 24.82
Polar Surface Area: 58 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 304.0±5.0 cm3

Click to predict properties on the Chemicalize site


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