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

C15H14ClNO5 — CID 118262107

IUPAC[2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H14ClNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-4-6-11(16)7-5-10/h4-7H,1-3H3,(H,17,18)
InChIKeyPBJOWGAHTFKTHS-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.02
Rot. Bonds3

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

[2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 118262107) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID118262107
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name[2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H14ClNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-4-6-11(16)7-5-10/h4-7H,1-3H3,(H,17,18)
InChIKeyPBJOWGAHTFKTHS-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-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-(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
[2-Amino-5-(3-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90081240
[2-Amino-5-(2-chloro-4-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90081333
[2-Amino-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081361

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 118262107) is [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1.
What is the InChIKey of [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is PBJOWGAHTFKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-4-6-11(16)7-5-10/h4-7H,1-3H3,(H,17,18).
What are the key properties of [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-acetamido-5-(4-chlorophenyl)-5-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 [2-acetamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 118262107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).