1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C20H18F2N2O3 — CID 108626987

IUPAC1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccccn1
InChIInChI=1S/C20H18F2N2O3/c1-11(2)9-16(25)17-18(14-5-3-4-8-23-14)24(20(27)19(17)26)15-7-6-12(21)10-13(15)22/h3-8,10-11,18,26H,9H2,1-2H3
InChIKeyCXEDZGVGFWQABZ-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.88
Rot. Bonds5

About 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one

1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108626987) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108626987
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccccn1
InChIInChI=1S/C20H18F2N2O3/c1-11(2)9-16(25)17-18(14-5-3-4-8-23-14)24(20(27)19(17)26)15-7-6-12(21)10-13(15)22/h3-8,10-11,18,26H,9H2,1-2H3
InChIKeyCXEDZGVGFWQABZ-UHFFFAOYSA-N
XLogP3.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627074
4-hydroxy-3-(3-methylbutanoyl)-1-(2-methylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626900
1-(2,4-difluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108605351
1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589382
1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627088
ethyl 2-[4-[4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]phenyl]acetate
CID 108672291
4-hydroxy-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625161
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
1,2-bis(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108642175
1-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108628981
1-(2,4-difluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583139
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625765

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108626987) is 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccccn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is CXEDZGVGFWQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-11(2)9-16(25)17-18(14-5-3-4-8-23-14)24(20(27)19(17)26)15-7-6-12(21)10-13(15)22/h3-8,10-11,18,26H,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 372.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108626987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).