ChemSpider 2D Image | 2-Chloro-N-(3-methyl-1-{[4-(2-methyl-1-piperidinyl)butyl]amino}-1-oxo-2-butanyl)benzamide | C22H34ClN3O2

2-Chloro-N-(3-methyl-1-{[4-(2-methyl-1-piperidinyl)butyl]amino}-1-oxo-2-butanyl)benzamide

  • Molecular FormulaC22H34ClN3O2
  • Average mass407.977 Da
  • Monoisotopic mass407.233948 Da
  • ChemSpider ID30023740

More details:

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

2-Chlor-N-(3-methyl-1-{[4-(2-methyl-1-piperidinyl)butyl]amino}-1-oxo-2-butanyl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-(3-methyl-1-{[4-(2-methyl-1-piperidinyl)butyl]amino}-1-oxo-2-butanyl)benzamide [ACD/IUPAC Name]
2-Chloro-N-(3-méthyl-1-{[4-(2-méthyl-1-pipéridinyl)butyl]amino}-1-oxo-2-butanyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[2-methyl-1-[[[4-(2-methyl-1-piperidinyl)butyl]amino]carbonyl]propyl]- [ACD/Index Name]
2-[(2-CHLOROPHENYL)FORMAMIDO]-3-METHYL-N-[4-(2-METHYLPIPERIDIN-1-YL)BUTYL]BUTANAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.7±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 8.87
Polar Surface Area: 61 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 374.0±3.0 cm3

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