3-Chloro-4-(4-methoxyanilino)-1-phenylpyrrole-2,5-dione
Basic information
- CAS
97148-52-2- Standard SMILES
COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1- InChIKey
NLOOGOWOXULEGX-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O3
- Average molar mass
- 328.7 g/mol
- Monoisotopic mass
- 328.06147
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-methoxyanilino)-1-phenylpyrrole-2,5-dione
- IUPAC
- 3-chloro-4-(4-methoxyanilino)-1-phenylpyrrole-2,5-dione
- English name
- 3-chloro-4-(4-methoxyanilino)-1-phenyl-1H-pyrrole-2,5-dione
- Molecular formula
- C17H13ClN2O3
- Molecular weight
- 328.75
Names & synonyms
3-chloro-4-(4-methoxyanilino)-1-phenylpyrrole-2,5-dione97148-52-23-chloro-4-(4-methoxyanilino)-1-phenyl-1H-pyrrole-2,5-dione3-chloro-4-((4-methoxyphenyl)amino)-1-phenyl-1H-pyrrole-2,5-dione3-chloro-4-[(4-methoxyphenyl)amino]-1-phenyl-1H-pyrrole-2,5-dioneSTK976248AKOS001624256EU-0037788ST50188039AF-399/13428511SR-01000080717SR-01000080717-1
Show more names
1H-Pyrrole-2,5-dione, 3-chloro-4-[(4-methoxyphenyl)amino]-1-phenyl-
3-chloro-4-[(4-methoxyphenyl)amino]-1-phenylazoline-2,5-dione
Database identifiers
- CAS
97148-52-2- PubChem CID
- 718927
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 156 °C · 156 °C(Solv: ethanol (64-17-5))
- Boiling point
- 446.6 · 446.6±45.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -2.04 · -2.04±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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