2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C20H16ClF2NO4 — CID 108676549

IUPAC2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H16ClF2NO4/c1-9(2)18(26)16-17(10-3-6-15(25)12(21)7-10)24(20(28)19(16)27)11-4-5-13(22)14(23)8-11/h3-9,17,25,27H,1-2H3
InChIKeyDTLABMPNJKOHEG-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.45
Rot. Bonds4

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

2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108676549) has the molecular formula C20H16ClF2NO4 and a molecular weight of 407.80 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108676549
Molecular FormulaC20H16ClF2NO4
Molecular Weight407.80 g/mol
Exact Mass407.07
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H16ClF2NO4/c1-9(2)18(26)16-17(10-3-6-15(25)12(21)7-10)24(20(28)19(16)27)11-4-5-13(22)14(23)8-11/h3-9,17,25,27H,1-2H3
InChIKeyDTLABMPNJKOHEG-UHFFFAOYSA-N
XLogP4.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-1-(3,5-dimethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108676636
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108680100
2-(4-tert-butylphenyl)-1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108717778
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677245
2-(3-chloro-4-hydroxyphenyl)-1-(3-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
CID 108677070
(4E)-5-(3-chloro-4-hydroxyphenyl)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(3,4-difluorophenyl)pyrrolidine-2,3-dione
CID 108676547
4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108604738
1-(4-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587725
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108604999
2-(3-chloro-4-hydroxyphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108676809
1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629930

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108676549) is 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is DTLABMPNJKOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO4/c1-9(2)18(26)16-17(10-3-6-15(25)12(21)7-10)24(20(28)19(16)27)11-4-5-13(22)14(23)8-11/h3-9,17,25,27H,1-2H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 407.80 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108676549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).