ChemSpider 2D Image | 4-Chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)-3-piperidinyl]benzamide | C24H31ClN2O2

4-Chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)-3-piperidinyl]benzamide

  • Molecular FormulaC24H31ClN2O2
  • Average mass414.968 Da
  • Monoisotopic mass414.207397 Da
  • ChemSpider ID25057892

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Chlor-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)-3-piperidinyl]benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)-3-piperidinyl]benzamide [ACD/IUPAC Name]
4-Chloro-N-(3-méthoxypropyl)-N-[(3S)-1-(2-phényléthyl)-3-pipéridinyl]benzamide [French] [ACD/IUPAC Name]
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
Benzamide, 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)-3-piperidinyl]- [ACD/Index Name]

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

P21 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 13.40
ACD/KOC (pH 5.5): 48.60
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 679.01
ACD/KOC (pH 7.4): 2463.64
Polar Surface Area: 33 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 354.4±5.0 cm3

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