Basic information
- CAS
369396-81-6- Standard SMILES
CCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1- InChIKey
JKQWGBHPZVPSGV-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O3
- Average molar mass
- 356.8 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-ethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
- IUPAC
- 3-chloro-1-(4-ethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
- English name
- 3-chloro-1-(4-ethylphenyl)-4-(3-methoxyanilino)-1H-pyrrole-2,5-dione
- Molecular formula
- C19H17ClN2O3
- Molecular weight
- 356.8
Names & synonyms
369396-81-63-chloro-1-(4-ethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione3-chloro-1-(4-ethylphenyl)-4-(3-methoxyanilino)-1H-pyrrole-2,5-dione3-chloro-1-(4-ethylphenyl)-4-((3-methoxyphenyl)amino)-1H-pyrrole-2,5-dione3-chloro-1-(4-ethylphenyl)-4-[(3-methoxyphenyl)amino]-1H-pyrrole-2,5-dioneSTL331893AKOS002268430ST50190759AB00113764-01AE-641/40790326SR-01000240053SR-01000240053-1
Show more names
1H-Pyrrole-2,5-dione, 3-chloro-1-(4-ethylphenyl)-4-[(3-methoxyphenyl)amino]-
3-chloro-1-(4-ethylphenyl)-4-[(3-methoxyphenyl)amino]azoline-2,5-dione
Database identifiers
- CAS
369396-81-6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 478 · 478.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -3.05 · -3.05±0.60(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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