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

C18H14FNO4 — CID 140833822

IUPACN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(F)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14FNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23)
InChIKeyGJBWUYQWXRICCO-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.80
Rot. Bonds3

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

N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 140833822) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID140833822
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC NameN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(F)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14FNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23)
InChIKeyGJBWUYQWXRICCO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 132139296
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833563
[2-Benzamido-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833571
N-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833573
4-bromo-N-[5-(2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140833581
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833585
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833620
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833637
N-[5-(3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833681
[2-Benzamido-5-(2,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833692
[2-Benzamido-5-(2,6-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833712
[2-Benzamido-5-(3,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833730

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 140833822) is N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2ccc(F)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is GJBWUYQWXRICCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(4-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-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is sourced from PubChem (CID 140833822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).