3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione

C20H18ClNO5 — CID 110583733

IUPAC3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(Cl)=C(c3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C20H18ClNO5/c1-4-27-14-8-6-13(7-9-14)22-19(23)17(18(21)20(22)24)12-5-10-15(25-2)16(11-12)26-3/h5-11H,4H2,1-3H3
InChIKeyDRCWJFJNSWXTNJ-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.63
Rot. Bonds6

About 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione (PubChem CID 110583733) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
PubChem CID110583733
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(Cl)=C(c3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C20H18ClNO5/c1-4-27-14-8-6-13(7-9-14)22-19(23)17(18(21)20(22)24)12-5-10-15(25-2)16(11-12)26-3/h5-11H,4H2,1-3H3
InChIKeyDRCWJFJNSWXTNJ-UHFFFAOYSA-N
XLogP3.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(4-ethoxyphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110581039
3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581130
1-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110547802
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242
3-chloro-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110582083
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588350
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110564903
3-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110563810
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110583763
1-(4-ethoxyphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593423
3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110589463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione (CID 110583733) is 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione is CCOc1ccc(N2C(=O)C(Cl)=C(c3ccc(OC)c(OC)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is DRCWJFJNSWXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-4-27-14-8-6-13(7-9-14)22-19(23)17(18(21)20(22)24)12-5-10-15(25-2)16(11-12)26-3/h5-11H,4H2,1-3H3.
What are the key properties of 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 387.82 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).