Basic information
- CAS
313062-62-3- Standard SMILES
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1cccc(Cl)c1- InChIKey
COXGMHOTCMIWCZ-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO3
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.066221
Names & identifiers
- Preferred name
- 3-[(3-Chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- IUPAC
- 3-[(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Names & synonyms
313062-62-33-[(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-{[(3-chlorophenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acidbicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(3-chlorophenyl)amino]carbonyl]-3-[[(3-CHLOROPHENYL)AMINO]CARBONYL]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACIDMLS001173496CHEMBL1568656SCHEMBL20013749DTXSID901333158HMS2871H03ALBB-035870STK411872
Show more names
AKOS003236100AKOS022167807SMR000538852ST50918727H48734SR-01000196502SR-01000196502-13-[N-(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Database identifiers
- CAS
313062-62-3- PubChem CID
- 2829238
- DTXSID
DTXSID901333158- ChEMBL
CHEMBL1568656
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility42.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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