Basic information
- CAS
6137-27-5- Standard SMILES
CCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1- InChIKey
NVZKAECSGZQWGL-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.07712
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-ethoxyanilino)-1-phenylpyrrole-2,5-dione
- IUPAC
- 3-chloro-4-(4-ethoxyanilino)-1-phenylpyrrole-2,5-dione
Names & synonyms
ZINC001215996137-27-53-chloro-4-(4-ethoxyanilino)-1-phenyl-1H-pyrrole-2,5-dione3-chloro-4-(4-ethoxyanilino)-1-phenylpyrrole-2,5-dione3-chloro-4-((4-ethoxyphenyl)amino)-1-phenyl-1H-pyrrole-2,5-dione3-chloro-4-[(4-ethoxyphenyl)amino]-1-phenyl-1H-pyrrole-2,5-dioneNVZKAECSGZQWGL-UHFFFAOYSA-NCBMicro_005535DTXSID20352159SMSF0014852STL332206AKOS002263927
Show more names
CB07631BIM-0005498.P001ST50189402AF-399/14183554SR-01000228830SR-01000228830-13-chloro-4-[(4-ethoxyphenyl)amino]-1-phenylazoline-2,5-dione
Database identifiers
- CAS
6137-27-5- PubChem CID
- 720253
- DTXSID
DTXSID20352159
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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