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

C17H13ClN2O3 — CID 6539464

IUPAC3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-7-5-10(6-8-13)14-15(17(22)20-16(14)21)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyANHNZYQVWLXJET-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.83
Rot. Bonds4

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

3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539464) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539464
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-7-5-10(6-8-13)14-15(17(22)20-16(14)21)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyANHNZYQVWLXJET-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.83
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

4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
CID 132564460
1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593552
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592596
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962255
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
1-(5-chloro-2-methylphenyl)-3-(3-ethoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593334
2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 10131496
3-bromo-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 146673844

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 6539464) is 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)cc1.
What is the InChIKey of 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is ANHNZYQVWLXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-13-7-5-10(6-8-13)14-15(17(22)20-16(14)21)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione?
3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 328.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).