Basic information
- CAS
908806-00-8- Standard SMILES
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O- InChIKey
CITLSTZRNQPUSX-UHFFFAOYSA-N- Molecular formula
- C26H17ClN2O5
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.0825993
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamide
- IUPAC
- N-(4-chlorophenyl)-4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxobutanamide
Names & synonyms
908806-00-8NSC641253N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanamideN-(4-Chlorophenyl)-4-(2-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-2,4-dioxobutanamideNCIMech_000796CHEMBL1990811DTXSID40920096CCG-35805NSC-641253NCI60_013912PD011600N-(4-chlorophenyl)-4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-butanamide
Show more names
N-(4-Chlorophenyl)-4-{2-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-2,4-dioxobutanimidic acid
Database identifiers
- CAS
908806-00-8- PubChem CID
- 369483
- DTXSID
DTXSID40920096- ChEMBL
CHEMBL1990811
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 876
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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