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

C16H10Cl2N2O2 — CID 6539458

IUPAC3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-9-4-3-5-10(8-9)19-14-13(15(21)20-16(14)22)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20,21,22)
InChIKeyOBJPHIOAHHIJPG-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.47
Rot. Bonds3

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

3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione (PubChem CID 6539458) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione
PubChem CID6539458
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-9-4-3-5-10(8-9)19-14-13(15(21)20-16(14)22)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20,21,22)
InChIKeyOBJPHIOAHHIJPG-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.47
H-Bond Donors ≤ 52
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-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione (CID 6539458) is 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione?
The InChIKey is OBJPHIOAHHIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-9-4-3-5-10(8-9)19-14-13(15(21)20-16(14)22)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20,21,22).
What are the key properties of 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione?
3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione has a molecular weight of 333.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-4-(2-chlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).