3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

C20H20FNO4 — CID 108645244

IUPAC3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-20(2,3)18(24)15-16(13-8-4-5-9-14(13)21)22(19(25)17(15)23)11-12-7-6-10-26-12/h4-10,16,23H,11H2,1-3H3
InChIKeyJHTPVUJOYXFECA-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.93
Rot. Bonds4

About 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108645244) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108645244
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-20(2,3)18(24)15-16(13-8-4-5-9-14(13)21)22(19(25)17(15)23)11-12-7-6-10-26-12/h4-10,16,23H,11H2,1-3H3
InChIKeyJHTPVUJOYXFECA-UHFFFAOYSA-N
XLogP3.93
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzyl-3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 981031
3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649378
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108619332
(5R)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1277127
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108645920
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 7465021
2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108656024
(1S)-1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017995
3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108652998
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4551429
(5R)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 1307510

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one (CID 108645244) is 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1F.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is JHTPVUJOYXFECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-20(2,3)18(24)15-16(13-8-4-5-9-14(13)21)22(19(25)17(15)23)11-12-7-6-10-26-12/h4-10,16,23H,11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 357.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).