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

C24H18N2O4 — CID 134822023

IUPAC3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O
InChIInChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
InChIKeyCXBAABOAUNPLDL-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.41
Rot. Bonds6

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

3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 134822023) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID134822023
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O
InChIInChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29)
InChIKeyCXBAABOAUNPLDL-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 134822023) is 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O.
What is the InChIKey of 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is CXBAABOAUNPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-30-19-10-6-5-9-18(19)20-21(24(29)26-23(20)28)25-17-13-11-16(12-14-17)22(27)15-7-3-2-4-8-15/h2-14H,1H3,(H2,25,26,28,29).
What are the key properties of 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 398.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 134822023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).