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

C15H13ClFNO5 — CID 140833876

IUPAC[2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2F)O1
InChIInChI=1S/C15H13ClFNO5/c1-7(19)18-14-12(22-8(2)20)13(21)15(3,23-14)10-5-4-9(16)6-11(10)17/h4-6H,1-3H3,(H,18,19)
InChIKeyGAJLDYDKZMAULU-UHFFFAOYSA-N
MW341.72 g/mol
LogP2.16
Rot. Bonds3

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

[2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833876) has the molecular formula C15H13ClFNO5 and a molecular weight of 341.72 g/mol. Its IUPAC name is [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833876
Molecular FormulaC15H13ClFNO5
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name[2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2F)O1
InChIInChI=1S/C15H13ClFNO5/c1-7(19)18-14-12(22-8(2)20)13(21)15(3,23-14)10-5-4-9(16)6-11(10)17/h4-6H,1-3H3,(H,18,19)
InChIKeyGAJLDYDKZMAULU-UHFFFAOYSA-N
XLogP2.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Amino-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080222
[2-Amino-5-(2-chloro-5-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080312
[2-Amino-5-(4-chloro-3-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080619
[2-Amino-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080704
[2-Amino-5-(5-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080728
[2-Amino-5-(4-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080846
[2-Amino-5-(2-chloro-5-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080890
[2-Amino-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080898
[2-Amino-5-(2-chloro-6-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080977
[2-Amino-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081009
[2-Amino-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081142
5-Amino-2-(2-chloro-5-fluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90081166

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833876) is [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2F)O1.
What is the InChIKey of [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is GAJLDYDKZMAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO5/c1-7(19)18-14-12(22-8(2)20)13(21)15(3,23-14)10-5-4-9(16)6-11(10)17/h4-6H,1-3H3,(H,18,19).
What are the key properties of [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 341.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).