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

C16H10Cl2N2O2 — CID 949524

IUPAC3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-9,19H
InChIKeyJLEMQLBSRKEYKP-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.86
Rot. Bonds3

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

3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione (PubChem CID 949524) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione
PubChem CID949524
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-9,19H
InChIKeyJLEMQLBSRKEYKP-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione (CID 949524) is 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione?
The InChIKey is JLEMQLBSRKEYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-10-1-5-12(6-2-10)19-14-9-15(21)20(16(14)22)13-7-3-11(18)4-8-13/h1-9,19H.
What are the key properties of 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione?
3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione has a molecular weight of 333.17 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(4-chlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 949524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).