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

C10H7ClN2O2 — CID 12587702

IUPAC1-(4-chloroanilino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)12-13-9(14)5-6-10(13)15/h1-6,12H
InChIKeyVXSWSQWUVUVFJI-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.59
Rot. Bonds2

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

1-(4-chloroanilino)pyrrole-2,5-dione (PubChem CID 12587702) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 1-(4-chloroanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloroanilino)pyrrole-2,5-dione
PubChem CID12587702
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name1-(4-chloroanilino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)12-13-9(14)5-6-10(13)15/h1-6,12H
InChIKeyVXSWSQWUVUVFJI-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.59
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 1-(4-chloroanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chloroanilino)pyrrole-2,5-dione (CID 12587702) is 1-(4-chloroanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloroanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloroanilino)pyrrole-2,5-dione is O=C1C=CC(=O)N1Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chloroanilino)pyrrole-2,5-dione?
The InChIKey is VXSWSQWUVUVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)12-13-9(14)5-6-10(13)15/h1-6,12H.
What are the key properties of 1-(4-chloroanilino)pyrrole-2,5-dione?
1-(4-chloroanilino)pyrrole-2,5-dione has a molecular weight of 222.63 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroanilino)pyrrole-2,5-dione is sourced from PubChem (CID 12587702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).