1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one

C22H22FNO3 — CID 108599499

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C22H22FNO3/c1-14(2)20(25)18-19(16-6-4-3-5-7-16)24(22(27)21(18)26)13-12-15-8-10-17(23)11-9-15/h3-11,14,19,26H,12-13H2,1-2H3
InChIKeyFCHZQBGPPVRICH-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.99
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one

1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108599499) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID108599499
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C22H22FNO3/c1-14(2)20(25)18-19(16-6-4-3-5-7-16)24(22(27)21(18)26)13-12-15-8-10-17(23)11-9-15/h3-11,14,19,26H,12-13H2,1-2H3
InChIKeyFCHZQBGPPVRICH-UHFFFAOYSA-N
XLogP3.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640971
2-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 43859993
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640409
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599325
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1256873
4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599242
4-hydroxy-2-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108689909
1-butyl-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649783
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108641843
4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108599239
1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649703
3-acetyl-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 46864406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (CID 108599499) is 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is FCHZQBGPPVRICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-14(2)20(25)18-19(16-6-4-3-5-7-16)24(22(27)21(18)26)13-12-15-8-10-17(23)11-9-15/h3-11,14,19,26H,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 367.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108599499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).