Basic information
- CAS
1261936-96-2- Standard SMILES
O=C(O)c1cc(F)cc(-c2cccc(C(=O)NC3CC3)c2)c1- InChIKey
JESRTZOKSOJQHU-UHFFFAOYSA-N- Molecular formula
- C17H14FNO3
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.09577147
Names & identifiers
- Preferred name
- 3-[3-(Cyclopropylaminocarbonyl)phenyl]-5-fluorobenzoic acid
- IUPAC
- 3-[3-(cyclopropylcarbamoyl)phenyl]-5-fluorobenzoic acid
Names & synonyms
1261936-96-2MFCD183223793-[3-(CYCLOPROPYLAMINOCARBONYL)PHENYL]-5-FLUOROBENZOIC ACIDDTXSID706917423-[3-(cyclopropylcarbamoyl)phenyl]-5-fluorobenzoic acid3-[3-(cyclopropylcarbamoyl)phenyl]-5-fluoro-benzoic acid3-[3-(Cyclopropylaminocarbonyl)phenyl]-5-fluorobenzoic acid, 95%3'-(Cyclopropylcarbamoyl)-5-fluoro[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261936-96-2- PubChem CID
- 53228209
- DTXSID
DTXSID70691742
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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