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

C20H17F2NO3 — CID 108638037

IUPAC1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1
InChIInChI=1S/C20H17F2NO3/c1-11(2)18(24)16-17(12-6-4-3-5-7-12)23(20(26)19(16)25)13-8-9-14(21)15(22)10-13/h3-11,17,25H,1-2H3
InChIKeyATOOCHLVKJHKAZ-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.09
Rot. Bonds4

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

1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108638037) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID108638037
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1
InChIInChI=1S/C20H17F2NO3/c1-11(2)18(24)16-17(12-6-4-3-5-7-12)23(20(26)19(16)25)13-8-9-14(21)15(22)10-13/h3-11,17,25H,1-2H3
InChIKeyATOOCHLVKJHKAZ-UHFFFAOYSA-N
XLogP4.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108676549
1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108677854
2-(4-tert-butylphenyl)-1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108717778
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108678459
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 51111378
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108604999
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108680100
4-hydroxy-2-(3-hydroxyphenyl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108604738
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
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 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (CID 108638037) is 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)C1c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ATOOCHLVKJHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-11(2)18(24)16-17(12-6-4-3-5-7-12)23(20(26)19(16)25)13-8-9-14(21)15(22)10-13/h3-11,17,25H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 357.36 g/mol, XLogP of 4.09, 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-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108638037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).