3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione

C18H15ClN2O4 — CID 1033968

IUPAC3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C18H15ClN2O4/c1-24-13-8-6-12(7-9-13)21-17(22)15(19)16(18(21)23)20-11-4-3-5-14(10-11)25-2/h3-10,20H,1-2H3
InChIKeyXYUNDBYFQXVVBX-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.14
Rot. Bonds5

About 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 1033968) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID1033968
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C18H15ClN2O4/c1-24-13-8-6-12(7-9-13)21-17(22)15(19)16(18(21)23)20-11-4-3-5-14(10-11)25-2/h3-10,20H,1-2H3
InChIKeyXYUNDBYFQXVVBX-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-chloro-4-(3-methoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate
CID 1192237
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 1407534
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110589573
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
CID 1185307
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110593580
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110599758
3-(4-fluorophenyl)-4-(3-methoxyanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110587392
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione (CID 1033968) is 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is XYUNDBYFQXVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-24-13-8-6-12(7-9-13)21-17(22)15(19)16(18(21)23)20-11-4-3-5-14(10-11)25-2/h3-10,20H,1-2H3.
What are the key properties of 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 358.78 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1033968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).