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

C24H18F2N2O3 — CID 108627088

IUPAC1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccccn1
InChIInChI=1S/C24H18F2N2O3/c25-16-10-11-17(26)19(14-16)28-22(18-8-4-5-13-27-18)21(23(30)24(28)31)20(29)12-9-15-6-2-1-3-7-15/h1-8,10-11,13-14,22,30H,9,12H2
InChIKeyXPUFUDJDFNLYCK-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.46
Rot. Bonds6

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

1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108627088) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108627088
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccccn1
InChIInChI=1S/C24H18F2N2O3/c25-16-10-11-17(26)19(14-16)28-22(18-8-4-5-13-27-18)21(23(30)24(28)31)20(29)12-9-15-6-2-1-3-7-15/h1-8,10-11,13-14,22,30H,9,12H2
InChIKeyXPUFUDJDFNLYCK-UHFFFAOYSA-N
XLogP4.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589396
1-(2,5-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627074
1-(2,5-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108704864
1-(2,4-difluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583139
1-(2,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626987
4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692452
4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108590352
1-(3-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108616407
1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630627
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625175
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,5-difluorophenyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108627059

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108627088) is 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccccn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is XPUFUDJDFNLYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c25-16-10-11-17(26)19(14-16)28-22(18-8-4-5-13-27-18)21(23(30)24(28)31)20(29)12-9-15-6-2-1-3-7-15/h1-8,10-11,13-14,22,30H,9,12H2.
What are the key properties of 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 420.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108627088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).