1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C18H16FNO4 — CID 108657145

IUPAC1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1
InChIInChI=1S/C18H16FNO4/c1-2-13(21)15-16(14-4-3-9-24-14)20(18(23)17(15)22)10-11-5-7-12(19)8-6-11/h3-9,16,22H,2,10H2,1H3
InChIKeyVBIKESVAEQVIMV-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.29
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108657145) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108657145
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1
InChIInChI=1S/C18H16FNO4/c1-2-13(21)15-16(14-4-3-9-24-14)20(18(23)17(15)22)10-11-5-7-12(19)8-6-11/h3-9,16,22H,2,10H2,1H3
InChIKeyVBIKESVAEQVIMV-UHFFFAOYSA-N
XLogP3.29
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one 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

2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108603260
3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657121
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108694393
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108585034
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108657171
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3386107
2-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711310
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108642910
1-(3,5-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108653689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108657145) is 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)C1c1ccco1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is VBIKESVAEQVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-2-13(21)15-16(14-4-3-9-24-14)20(18(23)17(15)22)10-11-5-7-12(19)8-6-11/h3-9,16,22H,2,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 329.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108657145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).