4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one

C15H16FNO4 — CID 644540

IUPAC3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CCOC)O
InChIInChI=1S/C15H16FNO4/c1-9(18)12-13(10-3-5-11(16)6-4-10)17(7-8-21-2)15(20)14(12)19/h3-6,13,19H,7-8H2,1-2H3
InChIKeyDQYVYPUJPGZOBA-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.30
Rot. Bonds5

About 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one

4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one (PubChem CID 644540) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one
PubChem CID644540
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CCOC)O
InChIInChI=1S/C15H16FNO4/c1-9(18)12-13(10-3-5-11(16)6-4-10)17(7-8-21-2)15(20)14(12)19/h3-6,13,19H,7-8H2,1-2H3
InChIKeyDQYVYPUJPGZOBA-UHFFFAOYSA-N
XLogP1.30
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity455

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
4-Acetyl-3-hydroxy-1-(2-morpholin-4-yl-ethyl)-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 568025

Frequently Asked Questions

What is the IUPAC name of 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one?
The IUPAC name of 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one (CID 644540) is 3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one?
The canonical SMILES for 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one is CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)F)CCOC)O.
What is the InChIKey of 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one?
The InChIKey is DQYVYPUJPGZOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-9(18)12-13(10-3-5-11(16)6-4-10)17(7-8-21-2)15(20)14(12)19/h3-6,13,19H,7-8H2,1-2H3.
What are the key properties of 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one?
4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one has a molecular weight of 293.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Acetyl-5-(4-fluoro-phenyl)-3-hydroxy-1-(2-methoxy-ethyl)-1,5-dihydro-pyrrol-2-one is sourced from PubChem (CID 644540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).