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

C17H14N2O3 — CID 6539453

IUPAC3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C17H14N2O3/c1-22-13-10-6-5-9-12(13)14-15(17(21)19-16(14)20)18-11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyXCYIIVRZXLZJER-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.17
Rot. Bonds4

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

3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539453) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539453
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C17H14N2O3/c1-22-13-10-6-5-9-12(13)14-15(17(21)19-16(14)20)18-11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyXCYIIVRZXLZJER-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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Related Compounds

N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
2'-Methoxy-2-phenylacetanilide
CID 258229
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-4-(phenylamino)-
CID 6539456
Slk/stk10-IN-1
CID 6539459
1-Ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
CID 24768118
3-[(4-Methoxyphenyl)amino]-1-methyl-4-phenyl-1H-pyrrole-2,5-dione
CID 24768120
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 6539453) is 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O.
What is the InChIKey of 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is XCYIIVRZXLZJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-10-6-5-9-12(13)14-15(17(21)19-16(14)20)18-11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 3-anilino-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-anilino-4-(2-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-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).