[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate

C15H14ClNO5 — CID 140681885

IUPAC[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H14ClNO5/c1-8-13(21-10(3)19)14(20)15(22-8,17-9(2)18)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18)
InChIKeyJLXCTFHKYAGGBL-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.02
Rot. Bonds3

About [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate

[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140681885) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
PubChem CID140681885
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H14ClNO5/c1-8-13(21-10(3)19)14(20)15(22-8,17-9(2)18)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18)
InChIKeyJLXCTFHKYAGGBL-UHFFFAOYSA-N
XLogP2.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Benzamido-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834400
[2-Benzamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834403
[2-Acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262107
[2-Benzamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262110
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
CID 140681886
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
[5-(4-Chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681889
[5-(4-Chlorophenyl)-2-methyl-4-oxo-5-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 140681890
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
CID 140681891
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
CID 140681893
[5-(4-Chlorophenyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681897
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
CID 140681898

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (CID 140681885) is [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is CC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O.
What is the InChIKey of [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is JLXCTFHKYAGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-8-13(21-10(3)19)14(20)15(22-8,17-9(2)18)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18).
What are the key properties of [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
[5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 323.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140681885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).