1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C21H20FNO3 — CID 108602761

IUPAC1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccccc1F
InChIInChI=1S/C21H20FNO3/c1-4-17(24)18-19(15-7-5-6-8-16(15)22)23(21(26)20(18)25)14-10-9-12(2)13(3)11-14/h5-11,19,25H,4H2,1-3H3
InChIKeyPVCDPPXUCQYDHJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.32
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108602761) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108602761
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccccc1F
InChIInChI=1S/C21H20FNO3/c1-4-17(24)18-19(15-7-5-6-8-16(15)22)23(21(26)20(18)25)14-10-9-12(2)13(3)11-14/h5-11,19,25H,4H2,1-3H3
InChIKeyPVCDPPXUCQYDHJ-UHFFFAOYSA-N
XLogP4.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108606479
1-(3,5-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108680623
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108601139
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108667941
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 3762892
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602779
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645008
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108575948
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 2868328
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108603260

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108602761) is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1c1ccccc1F.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is PVCDPPXUCQYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-4-17(24)18-19(15-7-5-6-8-16(15)22)23(21(26)20(18)25)14-10-9-12(2)13(3)11-14/h5-11,19,25H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 353.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108602761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).