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

C20H16BrCl2NO3 — CID 46864614

IUPAC3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2Cl)C1c1ccc(Br)cc1
InChIInChI=1S/C20H16BrCl2NO3/c1-11(25)17-18(13-2-5-14(21)6-3-13)24(20(27)19(17)26)9-8-12-4-7-15(22)10-16(12)23/h2-7,10,18,26H,8-9H2,1H3
InChIKeyYHWWWWCUIJOKAS-UHFFFAOYSA-N
MW469.16 g/mol
LogP5.28
Rot. Bonds5

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

3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 46864614) has the molecular formula C20H16BrCl2NO3 and a molecular weight of 469.16 g/mol. Its IUPAC name is 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID46864614
Molecular FormulaC20H16BrCl2NO3
Molecular Weight469.16 g/mol
Exact Mass466.97
IUPAC Name3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2Cl)C1c1ccc(Br)cc1
InChIInChI=1S/C20H16BrCl2NO3/c1-11(25)17-18(13-2-5-14(21)6-3-13)24(20(27)19(17)26)9-8-12-4-7-15(22)10-16(12)23/h2-7,10,18,26H,8-9H2,1H3
InChIKeyYHWWWWCUIJOKAS-UHFFFAOYSA-N
XLogP5.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 3349682
(2R)-3-acetyl-2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 839106
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 790607
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-2H-pyrrol-5-one
CID 4078446
(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-2H-pyrrol-5-one
CID 7120354
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 767338
3-acetyl-2-(4-bromophenyl)-1-[2-(2-chlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one;3-acetyl-2-(2-chloro-3-pyridinyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-2-(3,4-dibromophenyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one;3-acetyl-4-hydroxy-1-(2-phenylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrrol-5-one
CID 173107938
(2S)-3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 40713736
3-acetyl-1-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2890302
3-acetyl-1-(2-aminoethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 583186
3-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 6922877
(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 7008582

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (CID 46864614) is 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2Cl)C1c1ccc(Br)cc1.
What is the InChIKey of 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is YHWWWWCUIJOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2NO3/c1-11(25)17-18(13-2-5-14(21)6-3-13)24(20(27)19(17)26)9-8-12-4-7-15(22)10-16(12)23/h2-7,10,18,26H,8-9H2,1H3.
What are the key properties of 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 469.16 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-bromophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 46864614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).