ChemSpider 2D Image | 4-(4-{[2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorobenzamide | C26H27FN2O2

4-(4-{[2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorobenzamide

  • Molecular FormulaC26H27FN2O2
  • Average mass418.503 Da
  • Monoisotopic mass418.205658 Da
  • ChemSpider ID58805754

More details:

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

1174130-60-9 [RN]
4-(4-{[2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorbenzamid [German] [ACD/IUPAC Name]
4-(4-{[2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl}phenoxy)-3-fluorobenzamide [ACD/IUPAC Name]
4-(4-{[2-(3,5-Diméthylphényl)-1-pyrrolidinyl]méthyl}phénoxy)-3-fluorobenzamide [French] [ACD/IUPAC Name]
4-(4-{[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl}phenoxy)-3-fluorobenzamide
Benzamide, 4-[4-[[2-(3,5-dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluoro- [ACD/Index Name]
1174130-61-0 [RN]
4-(4-((2-(3,5-Dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide
Aticaprant (USAN/INN)
D11831
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DE4G8X55F5 [DBID]
LY2456302 [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: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 12.35
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 66.13
ACD/KOC (pH 7.4): 225.69
Polar Surface Area: 56 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 348.3±3.0 cm3

Click to predict properties on the Chemicalize site


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