Basic information
- CAS
304888-20-8- Standard SMILES
O=C(Nc1ccccc1F)C1COc2ccccc2O1- InChIKey
IXTPJKCIPOZENB-UHFFFAOYSA-N- Molecular formula
- C15H12FNO3
- Average molar mass
- 273.26 g/mol
- Monoisotopic mass
- 273.08012141
Names & identifiers
- Preferred name
- N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
- IUPAC
- N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Names & synonyms
N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide304888-20-8Oprea1_109324MLS001201402CHEMBL1445976DTXSID301327406HMS2828B07N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamideSTK8260552,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-fluoro-phenyl)-amideAKOS000614374AKOS016148591
Show more names
SMR000517881ST45247471ST50185418AG-690/11820088Z28290797N-(2-fluorophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
Database identifiers
- CAS
304888-20-8- PubChem CID
- 2788331
- DTXSID
DTXSID301327406- ChEMBL
CHEMBL1445976
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility25.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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