3-{[(2,3-Dimethylbutyl)amino]methyl}-4-fluorobenzamide
Basic information
- CAS
1492890-59-1- Standard SMILES
CC(C)C(C)CNCc1cc(C(N)=O)ccc1F- InChIKey
XJXJGSIENJKNTE-UHFFFAOYSA-N- Molecular formula
- C14H21FN2O
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.16379146
Names & identifiers
- Preferred name
- 3-{[(2,3-Dimethylbutyl)amino]methyl}-4-fluorobenzamide
- IUPAC
- 3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
Names & synonyms
DTXSID101197409AKOS0138962153-{[(2,3-Dimethylbutyl)amino]methyl}-4-fluorobenzamideBenzamide, 3-[[(2,3-dimethylbutyl)amino]methyl]-4-fluoro-1492890-59-1
Database identifiers
- CAS
1492890-59-1- PubChem CID
- 64570943
- DTXSID
DTXSID101197409
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…