1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione

C18H14ClNO4 — CID 110583357

IUPAC1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H14ClNO4/c1-2-24-14-8-6-11(7-9-14)15-16(21)18(23)20(17(15)22)13-5-3-4-12(19)10-13/h3-10,21H,2H2,1H3
InChIKeyCENIHQAJORLGMF-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione

1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110583357) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110583357
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H14ClNO4/c1-2-24-14-8-6-11(7-9-14)15-16(21)18(23)20(17(15)22)13-5-3-4-12(19)10-13/h3-10,21H,2H2,1H3
InChIKeyCENIHQAJORLGMF-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-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

1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
1-(3,4-diethoxyphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583377
3-anilino-1-(3-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588311
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(4-ethoxyanilino)pyrrole-2,5-dione
CID 110599927
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
4-[3-(4-ethoxyphenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110583383
3-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
3-(4-ethoxyphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583267
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
3-(4-chlorophenyl)sulfanyl-4-(4-ethoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110547726

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione (CID 110583357) is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione is CCOc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is CENIHQAJORLGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-2-24-14-8-6-11(7-9-14)15-16(21)18(23)20(17(15)22)13-5-3-4-12(19)10-13/h3-10,21H,2H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 343.77 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110583357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).