[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

C17H15Cl2NO5 — CID 140833656

IUPAC[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H15Cl2NO5/c1-9(21)24-14-15(23)17(2,11-6-5-10(18)8-12(11)19)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHZDCGQBXGSSGCZ-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.16
Rot. Bonds3

About [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 140833656) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID140833656
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H15Cl2NO5/c1-9(21)24-14-15(23)17(2,11-6-5-10(18)8-12(11)19)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHZDCGQBXGSSGCZ-UHFFFAOYSA-N
XLogP3.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[5-(2-Chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833564
[5-(2,5-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833602
1-[5-(5-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833632
1-[5-(3-Chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833644
[5-(3,4-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833709
[5-(2,6-Difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833732
1-[5-(4-Chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140833776
[5-(2-Chloro-5-fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833802
[5-(3-Fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833862
[5-(4-Fluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140833901
[5-(4-Chloro-3-fluorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833949

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 140833656) is [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is HZDCGQBXGSSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-9(21)24-14-15(23)17(2,11-6-5-10(18)8-12(11)19)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 384.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 140833656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).