1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione

C18H13ClFNO3 — CID 110582885

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(F)cc2)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFNO3/c19-13-5-1-11(2-6-13)9-10-21-17(23)15(16(22)18(21)24)12-3-7-14(20)8-4-12/h1-8,22H,9-10H2
InChIKeySUQHWXUNWNTLSY-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione

1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110582885) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110582885
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(F)cc2)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFNO3/c19-13-5-1-11(2-6-13)9-10-21-17(23)15(16(22)18(21)24)12-3-7-14(20)8-4-12/h1-8,22H,9-10H2
InChIKeySUQHWXUNWNTLSY-UHFFFAOYSA-N
XLogP3.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione (CID 110582885) is 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione is O=C1C(O)=C(c2ccc(F)cc2)C(=O)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is SUQHWXUNWNTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c19-13-5-1-11(2-6-13)9-10-21-17(23)15(16(22)18(21)24)12-3-7-14(20)8-4-12/h1-8,22H,9-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione?
1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 345.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).