Basic information
- CAS
1019397-30-8- Standard SMILES
Cc1cccc(C(=O)Nc2cc(F)ccc2C(=O)O)c1C- InChIKey
HVEVJTPNDNTCRA-UHFFFAOYSA-N- Molecular formula
- C16H14FNO3
- Average molar mass
- 287.28 g/mol
- Monoisotopic mass
- 287.09577147
Names & identifiers
- Preferred name
- 2-(2,3-Dimethylbenzamido)-4-fluorobenzoic acid
- IUPAC
- 2-[(2,3-dimethylbenzoyl)amino]-4-fluorobenzoic acid
Names & synonyms
DTXSID001223382AKOS0002004121019397-30-82-[(2,3-dimethylbenzoyl)amino]-4-fluorobenzoic acid2-(2,3-DIMETHYLBENZAMIDO)-4-FLUOROBENZOIC ACID
Database identifiers
- CAS
1019397-30-8- PubChem CID
- 25750178
- DTXSID
DTXSID001223382
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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