N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide

C13H12FNO4 — CID 140833681

IUPACN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2cccc(F)c2)O1
InChIInChI=1S/C13H12FNO4/c1-7(16)15-12-10(17)11(18)13(2,19-12)8-4-3-5-9(14)6-8/h3-6,17H,1-2H3,(H,15,16)
InChIKeyGHFSQZKGIOYHHU-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.50
Rot. Bonds2

About N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide

N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (PubChem CID 140833681) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
PubChem CID140833681
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC NameN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
SMILESCC(=O)NC1=C(O)C(=O)C(C)(c2cccc(F)c2)O1
InChIInChI=1S/C13H12FNO4/c1-7(16)15-12-10(17)11(18)13(2,19-12)8-4-3-5-9(14)6-8/h3-6,17H,1-2H3,(H,15,16)
InChIKeyGHFSQZKGIOYHHU-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide (CID 140833681) is N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is CC(=O)NC1=C(O)C(=O)C(C)(c2cccc(F)c2)O1.
What is the InChIKey of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
The InChIKey is GHFSQZKGIOYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7(16)15-12-10(17)11(18)13(2,19-12)8-4-3-5-9(14)6-8/h3-6,17H,1-2H3,(H,15,16).
What are the key properties of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide?
N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide has a molecular weight of 265.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide is sourced from PubChem (CID 140833681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).