3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione

C24H19ClN2O3 — CID 110599881

IUPAC3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H19ClN2O3/c1-2-30-20-11-7-6-10-19(20)26-22-21(16-12-14-17(25)15-13-16)23(28)27(24(22)29)18-8-4-3-5-9-18/h3-15,26H,2H2,1H3
InChIKeyZEJLHPAZGBBESB-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.14
Rot. Bonds6

About 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione (PubChem CID 110599881) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
PubChem CID110599881
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H19ClN2O3/c1-2-30-20-11-7-6-10-19(20)26-22-21(16-12-14-17(25)15-13-16)23(28)27(24(22)29)18-8-4-3-5-9-18/h3-15,26H,2H2,1H3
InChIKeyZEJLHPAZGBBESB-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2-ethoxyanilino)pyrrole-2,5-dione
CID 110599704
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110588143
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591818
3-(2-ethoxyanilino)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110594070
1-(3,4-difluorophenyl)-3-(2-ethoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593825
1-(3,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586684
3-anilino-4-(4-chlorophenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110599011
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
3-(3-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588286
3-(4-chlorophenyl)-4-(2,3-dimethylanilino)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110599825

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione (CID 110599881) is 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
The InChIKey is ZEJLHPAZGBBESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-2-30-20-11-7-6-10-19(20)26-22-21(16-12-14-17(25)15-13-16)23(28)27(24(22)29)18-8-4-3-5-9-18/h3-15,26H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione has a molecular weight of 418.88 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110599881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).