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

C24H18Cl2N2O2 — CID 110571477

IUPAC1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2Cl)C1=O)c1ccccc1
InChIInChI=1S/C24H18Cl2N2O2/c1-2-27(18-8-4-3-5-9-18)22-21(16-12-14-17(25)15-13-16)23(29)28(24(22)30)20-11-7-6-10-19(20)26/h3-15H,2H2,1H3
InChIKeyDWUOCQIAZMQDMI-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.80
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione (PubChem CID 110571477) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
PubChem CID110571477
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2Cl)C1=O)c1ccccc1
InChIInChI=1S/C24H18Cl2N2O2/c1-2-27(18-8-4-3-5-9-18)22-21(16-12-14-17(25)15-13-16)23(29)28(24(22)30)20-11-7-6-10-19(20)26/h3-15H,2H2,1H3
InChIKeyDWUOCQIAZMQDMI-UHFFFAOYSA-N
XLogP5.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561966
1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110550609
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
3-(N-ethylanilino)-1-(2-fluorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577342
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
1-(2,5-difluorophenyl)-3-(N-ethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558253
3-(4-chlorophenyl)-1-cyclooctyl-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110569859
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110550412
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione (CID 110571477) is 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione is CCN(C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2Cl)C1=O)c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione?
The InChIKey is DWUOCQIAZMQDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c1-2-27(18-8-4-3-5-9-18)22-21(16-12-14-17(25)15-13-16)23(29)28(24(22)30)20-11-7-6-10-19(20)26/h3-15H,2H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione has a molecular weight of 437.33 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110571477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).