3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione

C18H16N2O3 — CID 24768120

IUPAC3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3
InChIKeySRRMALAKIVOBLG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds4

About 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione

3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione (PubChem CID 24768120) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione
PubChem CID24768120
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3
InChIKeySRRMALAKIVOBLG-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione (CID 24768120) is 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione is COc1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione?
The InChIKey is SRRMALAKIVOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-17(21)15(12-6-4-3-5-7-12)16(18(20)22)19-13-8-10-14(23-2)11-9-13/h3-11,19H,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione?
3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione has a molecular weight of 308.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-methyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 24768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).