5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one

C21H17BrFNO2 — CID 66669163

IUPAC5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2F)ccc1=O
InChIInChI=1S/C21H17BrFNO2/c1-24-13-15(8-11-21(24)26)20(25)12-18(14-6-9-16(22)10-7-14)17-4-2-3-5-19(17)23/h2-11,13,18H,12H2,1H3
InChIKeyPDGGPCKALPVJMR-UHFFFAOYSA-N
MW414.27 g/mol
LogP4.69
Rot. Bonds5

About 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one

5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one (PubChem CID 66669163) has the molecular formula C21H17BrFNO2 and a molecular weight of 414.27 g/mol. Its IUPAC name is 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
PubChem CID66669163
Molecular FormulaC21H17BrFNO2
Molecular Weight414.27 g/mol
Exact Mass413.04
IUPAC Name5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2F)ccc1=O
InChIInChI=1S/C21H17BrFNO2/c1-24-13-15(8-11-21(24)26)20(25)12-18(14-6-9-16(22)10-7-14)17-4-2-3-5-19(17)23/h2-11,13,18H,12H2,1H3
InChIKeyPDGGPCKALPVJMR-UHFFFAOYSA-N
XLogP4.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-bromophenyl)-3-(4-fluoro-2-methyl-3-sulfanylphenyl)propanoyl]-1-methylpyridin-2-one
CID 154034378
4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
CID 67015760
1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
3-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67015647
1,5-bis[3-(4-bromophenyl)-3-(4-fluoro-2-methylphenyl)propanoyl]pyridin-2-one
CID 66669198
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168
4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 66668286
methyl 2-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]acetate
CID 67015532
5-[3-(4-chloro-2-fluorophenyl)-3-(3-methylsulfonylphenyl)propanoyl]-1-methylpyridin-2-one
CID 66668206
1-(2-bromophenyl)-3-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 139262381
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one (CID 66669163) is 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one is Cn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2F)ccc1=O.
What is the InChIKey of 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one?
The InChIKey is PDGGPCKALPVJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFNO2/c1-24-13-15(8-11-21(24)26)20(25)12-18(14-6-9-16(22)10-7-14)17-4-2-3-5-19(17)23/h2-11,13,18H,12H2,1H3.
What are the key properties of 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one?
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one has a molecular weight of 414.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one is sourced from PubChem (CID 66669163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).