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

C16H11ClN2O3 — CID 6539472

IUPAC3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(O)c1
InChIInChI=1S/C16H11ClN2O3/c17-10-6-4-9(5-7-10)13-14(16(22)19-15(13)21)18-11-2-1-3-12(20)8-11/h1-8,20H,(H2,18,19,21,22)
InChIKeyZFJLHOJPSZZLSS-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.53
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione (PubChem CID 6539472) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione
PubChem CID6539472
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(O)c1
InChIInChI=1S/C16H11ClN2O3/c17-10-6-4-9(5-7-10)13-14(16(22)19-15(13)21)18-11-2-1-3-12(20)8-11/h1-8,20H,(H2,18,19,21,22)
InChIKeyZFJLHOJPSZZLSS-UHFFFAOYSA-N
XLogP2.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione (CID 6539472) is 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione is O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione?
The InChIKey is ZFJLHOJPSZZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-6-4-9(5-7-10)13-14(16(22)19-15(13)21)18-11-2-1-3-12(20)8-11/h1-8,20H,(H2,18,19,21,22).
What are the key properties of 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione has a molecular weight of 314.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-hydroxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 6539472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).