2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid

C14H12FNO5 — CID 2868204

IUPAC2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
SMILESCC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1F
InChIInChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)
InChIKeyVEPGUGQACYDATA-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.19
Rot. Bonds4

About 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid

2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid (PubChem CID 2868204) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
PubChem CID2868204
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
SMILESCC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1F
InChIInChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)
InChIKeyVEPGUGQACYDATA-UHFFFAOYSA-N
XLogP1.19
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-benzyl-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2891204
1-benzyl-4-(2,2-dimethylpropanoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 4149556
4-Acetyl-1-cyclohexyl-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 544948
4-Acetyl-3-hydroxy-1-(3-hydroxy-propyl)-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 2868300
4-acetyl-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868356
4-Acetyl-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 610237
N-(4-Fluorobenzoyl)-N-methylglycine
CID 16774208
3-[3-Acetyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
CID 648150
4-Acetyl-5-(3-fluoro-phenyl)-3-hydroxy-1-(3-methoxy-propyl)-1,5-dihydro-pyrrol-2-one
CID 650972
ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
CID 664969
ethyl [3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
CID 665123
1-benzyl-3-hydroxy-4-(3-methylbutanoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 4124709

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid (CID 2868204) is 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid is CC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1F.
What is the InChIKey of 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The InChIKey is VEPGUGQACYDATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19).
What are the key properties of 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid is sourced from PubChem (CID 2868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).