Basic information
- Standard SMILES
CC(C)CC1OB(O)c2cc(NC(=O)c3ccc(F)cc3)ccc21- InChIKey
LBSVVRJJXCIVAP-UHFFFAOYSA-N- Molecular formula
- C18H19BFNO3
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 327.1442018
Names & identifiers
- Preferred name
- 4-Fluoro-N-(1-hydroxy-3-isobutyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-benzamide
- IUPAC
- 4-fluoro-N-[1-hydroxy-3-(2-methylpropyl)-3H-2,1-benzoxaborol-6-yl]benzamide
Names & synonyms
SCHEMBL2311788LBSVVRJJXCIVAP-UHFFFAOYSA-N4-Fluoro-N-(1-hydroxy-3-isobutyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-benzamide
Database identifiers
- PubChem CID
- 67359484
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
1 records
Compound notes
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