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

C18H14FNO4 — CID 140834113

IUPACN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2cccc(F)c2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14FNO4/c1-18(12-8-5-9-13(19)10-12)15(22)14(21)17(24-18)20-16(23)11-6-3-2-4-7-11/h2-10,21H,1H3,(H,20,23)
InChIKeyRILMNWSZIOZJTK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.80
Rot. Bonds3

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

N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 140834113) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID140834113
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC NameN-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2cccc(F)c2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14FNO4/c1-18(12-8-5-9-13(19)10-12)15(22)14(21)17(24-18)20-16(23)11-6-3-2-4-7-11/h2-10,21H,1H3,(H,20,23)
InChIKeyRILMNWSZIOZJTK-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.80
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]benzamide?
The IUPAC name of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 140834113) is N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2cccc(F)c2)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is RILMNWSZIOZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-18(12-8-5-9-13(19)10-12)15(22)14(21)17(24-18)20-16(23)11-6-3-2-4-7-11/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide has a molecular weight of 327.31 g/mol, XLogP of 2.80, 3 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]benzamide is sourced from PubChem (CID 140834113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).