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

C15H11ClFNO5 — CID 140833727

IUPAC1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1(c2cccc(Cl)c2F)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C15H11ClFNO5/c1-15(7-3-2-4-8(16)11(7)17)13(22)12(21)14(23-15)18-9(19)5-6-10(18)20/h2-4,21H,5-6H2,1H3
InChIKeyBKYUUXJRPZDSRG-UHFFFAOYSA-N
MW339.71 g/mol
LogP2.17
Rot. Bonds2

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

1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 140833727) has the molecular formula C15H11ClFNO5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
PubChem CID140833727
Molecular FormulaC15H11ClFNO5
Molecular Weight339.71 g/mol
Exact Mass339.03
IUPAC Name1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
SMILESCC1(c2cccc(Cl)c2F)OC(N2C(=O)CCC2=O)=C(O)C1=O
InChIInChI=1S/C15H11ClFNO5/c1-15(7-3-2-4-8(16)11(7)17)13(22)12(21)14(23-15)18-9(19)5-6-10(18)20/h2-4,21H,5-6H2,1H3
InChIKeyBKYUUXJRPZDSRG-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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Related Compounds

1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
1-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140833634
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140834026
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
2-(3-chloro-2-fluorophenyl)-6-hydroxy-2-methylcyclohexan-1-one
CID 158142988
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
[2-amino-5-(2,3-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834024
3-(3-chloro-2-fluorophenyl)azetidin-3-amine
CID 166608874
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833935
5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90082115

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione (CID 140833727) is 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione is CC1(c2cccc(Cl)c2F)OC(N2C(=O)CCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is BKYUUXJRPZDSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO5/c1-15(7-3-2-4-8(16)11(7)17)13(22)12(21)14(23-15)18-9(19)5-6-10(18)20/h2-4,21H,5-6H2,1H3.
What are the key properties of 1-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(3-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-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 140833727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).