3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

C19H14Cl2FNO3 — CID 10294013

IUPAC3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2cc(Cl)cc(Cl)c2)C1c1ccc(F)cc1
InChIInChI=1S/C19H14Cl2FNO3/c1-10(24)16-17(12-2-4-15(22)5-3-12)23(19(26)18(16)25)9-11-6-13(20)8-14(21)7-11/h2-8,17,25H,9H2,1H3
InChIKeyKWCSUVMWZYRSNU-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.62
Rot. Bonds4

About 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 10294013) has the molecular formula C19H14Cl2FNO3 and a molecular weight of 394.23 g/mol. Its IUPAC name is 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID10294013
Molecular FormulaC19H14Cl2FNO3
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC Name3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2cc(Cl)cc(Cl)c2)C1c1ccc(F)cc1
InChIInChI=1S/C19H14Cl2FNO3/c1-10(24)16-17(12-2-4-15(22)5-3-12)23(19(26)18(16)25)9-11-6-13(20)8-14(21)7-11/h2-8,17,25H,9H2,1H3
InChIKeyKWCSUVMWZYRSNU-UHFFFAOYSA-N
XLogP4.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzyl-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1284533
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
2-(4-tert-butylphenyl)-3-(2,2-dimethylpropanoyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108691650
3-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate
CID 4994258
(2R)-3-acetyl-1-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 839066
3-[(2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate
CID 6937652
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640971
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108583299
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108643001
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108640992
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298
2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 45031837

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 10294013) is 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2cc(Cl)cc(Cl)c2)C1c1ccc(F)cc1.
What is the InChIKey of 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is KWCSUVMWZYRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO3/c1-10(24)16-17(12-2-4-15(22)5-3-12)23(19(26)18(16)25)9-11-6-13(20)8-14(21)7-11/h2-8,17,25H,9H2,1H3.
What are the key properties of 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 394.23 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 10294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).