ChemSpider 2D Image | (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide | C20H23FN2O2

(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

  • Molecular FormulaC20H23FN2O2
  • Average mass342.407 Da
  • Monoisotopic mass342.174347 Da
  • ChemSpider ID29273440

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide [ACD/IUPAC Name]
(1S)-1-[3-(Diméthylamino)propyl]-1-(4-fluorophényl)-1,3-dihydro-2-benzofurane-5-carboxamide [French] [ACD/IUPAC Name]
(1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorphenyl)-1,3-dihydro-2-benzofuran-5-carboxamid [German] [ACD/IUPAC Name]
5-Isobenzofurancarboxamide, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)- [ACD/Index Name]
(S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxamide
1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
1470362-85-6 [RN]
64372-56-1 [RN]
UNII-BP83XJ2B6A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 57 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 286.8±7.0 cm3

Click to predict properties on the Chemicalize site


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