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

C15H14FNO5 — CID 140833667

IUPAC[2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1
InChIInChI=1S/C15H14FNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18)
InChIKeyYZBIUMMXPOGRJT-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.51
Rot. Bonds3

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

[2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833667) has the molecular formula C15H14FNO5 and a molecular weight of 307.28 g/mol. Its IUPAC name is [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833667
Molecular FormulaC15H14FNO5
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name[2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1
InChIInChI=1S/C15H14FNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18)
InChIKeyYZBIUMMXPOGRJT-UHFFFAOYSA-N
XLogP1.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 90080219
CID 90080219
CID 90080222
CID 90080222
CID 90080241
CID 90080241
CID 90080593
CID 90080593
CID 90080704
CID 90080704
CID 90080732
CID 90080732
CID 90080757
CID 90080757
CID 90080790
CID 90080790
CID 90080890
CID 90080890
CID 90080898
CID 90080898
CID 90080906
CID 90080906
CID 90080994
CID 90080994

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833667) is [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccccc2F)O1.
What is the InChIKey of [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is YZBIUMMXPOGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5/c1-8(18)17-14-12(21-9(2)19)13(20)15(3,22-14)10-6-4-5-7-11(10)16/h4-7H,1-3H3,(H,17,18).
What are the key properties of [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 307.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).