Basic information
- Standard SMILES
CCC(CC)NC(=O)c1ccc(Br)cc1F- InChIKey
ZHCOABWDCJBNCX-UHFFFAOYSA-N- Molecular formula
- C12H15BrFNO
- Average molar mass
- 288.16 g/mol
- Monoisotopic mass
- 287.03210442
Names & identifiers
- Preferred name
- 4-Bromo-N-(1-ethylpropyl)-2-fluorobenzamide
- IUPAC
- 4-bromo-2-fluoro-N-pentan-3-ylbenzamide
Names & synonyms
877383-85-24-Bromo-N-(1-ethylpropyl)-2-fluorobenzamide4-bromo-2-fluoro-N-(pentan-3-yl)benzamideSCHEMBL3341029ZHCOABWDCJBNCX-UHFFFAOYSA-NDTXSID301260593AKOS0001817454-bromo-N-(1-ethylpropyl)-2-fluoro-benzamideBenzamide, 4-bromo-N-(1-ethylpropyl)-2-fluoro-
Database identifiers
- CAS
877383-85-2- PubChem CID
- 24698331
- DTXSID
DTXSID301260593
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
4 records
Linked notes
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