Basic information
- CAS
878926-68-2- Standard SMILES
O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1F- InChIKey
NTSCGPDIWQSQBM-UHFFFAOYSA-N- Molecular formula
- C17H16ClFN2O2
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.0884336
Names & identifiers
- Preferred name
- 4-chloro-N-[4-(2-fluoroanilino)-4-oxobutyl]benzamide
- IUPAC
- 4-chloro-N-[4-(2-fluoroanilino)-4-oxobutyl]benzamide
Names & synonyms
MLS0011763434-chloro-N-[4-(2-fluoroanilino)-4-oxobutyl]benzamideCHEMBL1502637DTXSID601330886HMS2890P14AKOS001228127878926-68-2SMR000594860AB00749644-01Z28290828
Database identifiers
- CAS
878926-68-2- PubChem CID
- 9504599
- DTXSID
DTXSID601330886- ChEMBL
CHEMBL1502637
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility33.5 [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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