1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

C15H13ClFNO4 — CID 140833776

IUPAC1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2ccc(Cl)c(F)c2)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13ClFNO4/c1-15(8-4-5-9(16)10(17)7-8)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3
InChIKeyMEBCEZZPIUUIML-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.64
Rot. Bonds2

About 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (PubChem CID 140833776) has the molecular formula C15H13ClFNO4 and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
PubChem CID140833776
Molecular FormulaC15H13ClFNO4
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2ccc(Cl)c(F)c2)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13ClFNO4/c1-15(8-4-5-9(16)10(17)7-8)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3
InChIKeyMEBCEZZPIUUIML-UHFFFAOYSA-N
XLogP2.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 132139298
5-Amino-2-(4-chloro-3-fluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 132139340
5-Amino-2-(4-chloro-2-fluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 132139427
2-(4-Chloro-3-fluorophenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-2-methylfuran-3-one
CID 140278485
2-(4-Chloro-2-fluorophenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-2-methylfuran-3-one
CID 140278536
1-[5-(2,5-Difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833556
1-[5-(2,3-Difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833559
1-[5-(2-Chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833564
1-[5-(2-Chloro-6-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833587
[5-(2,5-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833602
1-[5-(2,5-Difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833629
1-[5-(5-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833632

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (CID 140833776) is 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is CC1(c2ccc(Cl)c(F)c2)OC(N2CCCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The InChIKey is MEBCEZZPIUUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4/c1-15(8-4-5-9(16)10(17)7-8)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one has a molecular weight of 325.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 140833776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).