1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one

C24H19F2NO3 — CID 108677245

IUPAC1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1cccc2ccccc12
InChIInChI=1S/C24H19F2NO3/c1-13(2)22(28)20-21(17-9-5-7-14-6-3-4-8-16(14)17)27(24(30)23(20)29)15-10-11-18(25)19(26)12-15/h3-13,21,29H,1-2H3
InChIKeyXIBGISKURBBBFA-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.24
Rot. Bonds4

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

1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one (PubChem CID 108677245) has the molecular formula C24H19F2NO3 and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
PubChem CID108677245
Molecular FormulaC24H19F2NO3
Molecular Weight407.42 g/mol
Exact Mass407.13
IUPAC Name1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1cccc2ccccc12
InChIInChI=1S/C24H19F2NO3/c1-13(2)22(28)20-21(17-9-5-7-14-6-3-4-8-16(14)17)27(24(30)23(20)29)15-10-11-18(25)19(26)12-15/h3-13,21,29H,1-2H3
InChIKeyXIBGISKURBBBFA-UHFFFAOYSA-N
XLogP5.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 51111378
2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108676549
1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108606479
1-(3-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108578641
(4E)-1-(3,4-difluorophenyl)-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677188
4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
(4Z)-1-(3,4-difluorophenyl)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677233
1-(1-benzothiophen-5-yl)-4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 58366130
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
2-(4-tert-butylphenyl)-1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108717778
4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one
CID 58366118

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one (CID 108677245) is 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1cccc2ccccc12.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The InChIKey is XIBGISKURBBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO3/c1-13(2)22(28)20-21(17-9-5-7-14-6-3-4-8-16(14)17)27(24(30)23(20)29)15-10-11-18(25)19(26)12-15/h3-13,21,29H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one has a molecular weight of 407.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108677245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).