Basic information
- Standard SMILES
CC(=O)c1oc2c(-c3cc[nH]c3)cc(F)cc2c1Cc1cccc(F)c1- InChIKey
DARAJEXBYPOICI-UHFFFAOYSA-N- Molecular formula
- C21H15F2NO2
- Average molar mass
- 351.3 g/mol
Names & identifiers
- Preferred name
- 1-[5-fluoro-3-(3-fluoro-benzyl)-7-(1H-pyrrol-3-yl)-benzofuran-2-yl]-ethanone
- IUPAC
- 1-[5-fluoro-3-[(3-fluorophenyl)methyl]-7-(1H-pyrrol-3-yl)-1-benzofuran-2-yl]ethanone
Names & synonyms
SCHEMBL3299689DARAJEXBYPOICI-UHFFFAOYSA-N1-[5-fluoro-3-(3-fluoro-benzyl)-7-(1H-pyrrol-3-yl)-benzofuran-2-yl]-ethanone
Database identifiers
- PubChem CID
- 59344898
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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