ChemSpider 2D Image | 3-Chloro-N-[2-(dimethylamino)ethyl]-4-({1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl}oxy)benzamide | C22H34ClN3O2

3-Chloro-N-[2-(dimethylamino)ethyl]-4-({1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl}oxy)benzamide

  • Molecular FormulaC22H34ClN3O2
  • Average mass407.977 Da
  • Monoisotopic mass407.233948 Da
  • ChemSpider ID22836503

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Chlor-N-[2-(dimethylamino)ethyl]-4-({1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl}oxy)benzamid [German] [ACD/IUPAC Name]
3-Chloro-N-[2-(dimethylamino)ethyl]-4-({1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl}oxy)benzamide [ACD/IUPAC Name]
3-Chloro-N-[2-(diméthylamino)éthyl]-4-({1-[(2E)-4-méthyl-2-pentén-1-yl]-4-pipéridinyl}oxy)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-chloro-N-[2-(dimethylamino)ethyl]-4-[[1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl]oxy]- [ACD/Index Name]
3-CHLORO-N-[2-(DIMETHYLAMINO)ETHYL]-4-({1-[(2E)-4-METHYLPENT-2-EN-1-YL]PIPERIDIN-4-YL}OXY)BENZAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.9±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 25.56
ACD/KOC (pH 7.4): 175.94
Polar Surface Area: 45 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

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