3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione

C17H14N2O3 — CID 6539456

IUPAC3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3ccccc3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(17(21)19-16(14)20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyWPVGMQYGOHYFNN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.17
Rot. Bonds4

About 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione

3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539456) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539456
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3ccccc3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(17(21)19-16(14)20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyWPVGMQYGOHYFNN-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 6539456) is 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(Nc3ccccc3)C(=O)NC2=O)cc1.
What is the InChIKey of 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is WPVGMQYGOHYFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(17(21)19-16(14)20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione?
3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).