3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one

C22H19Br2NO2 — CID 67015677

IUPAC3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
SMILESCc1ccccc1[C@H](CC(=O)c1cc(Br)c(=O)n(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H19Br2NO2/c1-14-5-3-4-6-18(14)19(15-7-9-17(23)10-8-15)12-21(26)16-11-20(24)22(27)25(2)13-16/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyIYJDAZRUBKFCGE-LJQANCHMSA-N
MW489.21 g/mol
LogP5.62
Rot. Bonds5

About 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one

3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one (PubChem CID 67015677) has the molecular formula C22H19Br2NO2 and a molecular weight of 489.21 g/mol. Its IUPAC name is 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
PubChem CID67015677
Molecular FormulaC22H19Br2NO2
Molecular Weight489.21 g/mol
Exact Mass486.98
IUPAC Name3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
SMILESCc1ccccc1[C@H](CC(=O)c1cc(Br)c(=O)n(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H19Br2NO2/c1-14-5-3-4-6-18(14)19(15-7-9-17(23)10-8-15)12-21(26)16-11-20(24)22(27)25(2)13-16/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyIYJDAZRUBKFCGE-LJQANCHMSA-N
XLogP5.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.21
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168
1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
CID 67015760
5-[C-[(2S)-2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyrimidin-2-one
CID 173006381
methyl 2-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]acetate
CID 67015532
3-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67015647
5-[3-(4-bromophenyl)-3-(4-fluoro-2-methyl-3-sulfanylphenyl)propanoyl]-1-methylpyridin-2-one
CID 154034378
1,5-bis[3-(4-bromophenyl)-3-(4-fluoro-2-methylphenyl)propanoyl]pyridin-2-one
CID 66669198
4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 66668286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one?
The IUPAC name of 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one (CID 67015677) is 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one is Cc1ccccc1[C@H](CC(=O)c1cc(Br)c(=O)n(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one?
The InChIKey is IYJDAZRUBKFCGE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19Br2NO2/c1-14-5-3-4-6-18(14)19(15-7-9-17(23)10-8-15)12-21(26)16-11-20(24)22(27)25(2)13-16/h3-11,13,19H,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one?
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one has a molecular weight of 489.21 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one is sourced from PubChem (CID 67015677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).