Basic information
- CAS
500264-16-4- Standard SMILES
O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1- InChIKey
RXJXJVOLSCKRDO-UHFFFAOYSA-N- Molecular formula
- C23H15ClN2O5
- Average molar mass
- 434.8 g/mol
Names & identifiers
- Preferred name
- 4-chloro-2-({4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)benzoic acid
- IUPAC
- 4-chloro-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]benzoic acid
- English name
- 4-chloro-2-({4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)benzoic acid
- Molecular formula
- C23H15ClN2O5
- Molecular weight
- 434.8286
Names & synonyms
4-chloro-2-({4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)benzoic acidAN-979/41069092MLS001180492CHEMBL1904901STK224143AKOS003302803SMR000477436SR-01000263740SR-01000263740-14-chloro-2-(4-((1,3-dioxoisoindolin-2-yl)methyl)benzamido)benzoic acid4-chloro-2-[({4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}carbonyl)amino]benzoic acid500264-16-4
Database identifiers
- CAS
500264-16-4- ChEMBL
CHEMBL1904901
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 711
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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