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

C18H13ClFNO3 — CID 110581830

IUPAC3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO3/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(20)8-2-11/h1-8,22H,9-10H2
InChIKeyQURZYTPFLLPSLB-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.36
Rot. Bonds4

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

3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione (PubChem CID 110581830) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione
PubChem CID110581830
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H13ClFNO3/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(20)8-2-11/h1-8,22H,9-10H2
InChIKeyQURZYTPFLLPSLB-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione (CID 110581830) is 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione is O=C1C(O)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione?
The InChIKey is QURZYTPFLLPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c19-13-5-3-12(4-6-13)15-16(22)18(24)21(17(15)23)10-9-11-1-7-14(20)8-2-11/h1-8,22H,9-10H2.
What are the key properties of 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione?
3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-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 3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110581830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).