ChemSpider 2D Image | 4-Amino-5-chloro-N-{(3S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide | C23H29ClFN3O4

4-Amino-5-chloro-N-{(3S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide

  • Molecular FormulaC23H29ClFN3O4
  • Average mass465.945 Da
  • Monoisotopic mass465.183075 Da
  • ChemSpider ID68025231

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Amino-5-chlor-N-{(3S)-1-[3-(4-fluorphenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamid [German] [ACD/IUPAC Name]
4-Amino-5-chloro-N-{(3S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide [ACD/IUPAC Name]
4-Amino-5-chloro-N-{(3S)-1-[3-(4-fluorophénoxy)propyl]-3-méthoxy-4-pipéridinyl}-2-méthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-5-chloro-N-[(3S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 10.52
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 49.58
ACD/KOC (pH 7.4): 446.63
Polar Surface Area: 86 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 359.1±5.0 cm3

Click to predict properties on the Chemicalize site


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