1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione

C16H11ClN2O2 — CID 18407270

IUPAC1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc(Cl)c2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)14-10-15(20)19(16(14)21)18-13-7-2-1-3-8-13/h1-10,18H
InChIKeyNVWIGQYKDSPPDW-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.12
Rot. Bonds3

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

1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione (PubChem CID 18407270) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione
PubChem CID18407270
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc(Cl)c2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)14-10-15(20)19(16(14)21)18-13-7-2-1-3-8-13/h1-10,18H
InChIKeyNVWIGQYKDSPPDW-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.12
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-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione (CID 18407270) is 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione is O=C1C=C(c2cccc(Cl)c2)C(=O)N1Nc1ccccc1.
What is the InChIKey of 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione?
The InChIKey is NVWIGQYKDSPPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)14-10-15(20)19(16(14)21)18-13-7-2-1-3-8-13/h1-10,18H.
What are the key properties of 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione?
1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione has a molecular weight of 298.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(3-chlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 18407270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).