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

C24H19ClN2O2 — CID 110595536

IUPAC1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-2-16-8-12-19(13-9-16)26-22-21(17-6-4-3-5-7-17)23(28)27(24(22)29)20-14-10-18(25)11-15-20/h3-15,26H,2H2,1H3
InChIKeyYVQKUUNKEHLVQT-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.30
Rot. Bonds5

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

1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110595536) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110595536
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-2-16-8-12-19(13-9-16)26-22-21(17-6-4-3-5-7-17)23(28)27(24(22)29)20-14-10-18(25)11-15-20/h3-15,26H,2H2,1H3
InChIKeyYVQKUUNKEHLVQT-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599799
1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110588217
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841
4-[3-anilino-4-(4-chlorophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110600112
3-(4-chlorophenyl)-4-(4-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599987
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110570652

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (CID 110595536) is 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is YVQKUUNKEHLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-2-16-8-12-19(13-9-16)26-22-21(17-6-4-3-5-7-17)23(28)27(24(22)29)20-14-10-18(25)11-15-20/h3-15,26H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 402.88 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).