1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione

C15H11ClFNO5 — CID 140833634

IUPAC1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1(c2cc(Cl)ccc2F)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C15H11ClFNO5/c1-15(8-6-7(16)2-3-9(8)17)13(22)12(21)14(23-15)18-10(19)4-5-11(18)20/h2-3,6,21H,4-5H2,1H3
InChIKeyPDFAVHVANSKAIC-UHFFFAOYSA-N
MW339.71 g/mol
LogP2.17
Rot. Bonds2

About 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione

1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 140833634) has the molecular formula C15H11ClFNO5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
PubChem CID140833634
Molecular FormulaC15H11ClFNO5
Molecular Weight339.71 g/mol
Exact Mass339.03
IUPAC Name1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1(c2cc(Cl)ccc2F)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C15H11ClFNO5/c1-15(8-6-7(16)2-3-9(8)17)13(22)12(21)14(23-15)18-10(19)4-5-11(18)20/h2-3,6,21H,4-5H2,1H3
InChIKeyPDFAVHVANSKAIC-UHFFFAOYSA-N
XLogP2.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione (CID 140833634) is 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione is CC1(c2cc(Cl)ccc2F)OC(N2C(=O)CCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is PDFAVHVANSKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO5/c1-15(8-6-7(16)2-3-9(8)17)13(22)12(21)14(23-15)18-10(19)4-5-11(18)20/h2-3,6,21H,4-5H2,1H3.
What are the key properties of 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 339.71 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 140833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).