3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one

C20H17BrFNO2 — CID 10287556

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)c1
InChIInChI=1S/C20H17BrFNO2/c1-14-4-2-6-16(10-14)13-25-18-8-9-23(20(24)19(18)21)12-15-5-3-7-17(22)11-15/h2-11H,12-13H2,1H3
InChIKeyIISRJGJCVGIBEC-UHFFFAOYSA-N
MW402.26 g/mol
LogP4.69
Rot. Bonds5

About 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one

3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one (PubChem CID 10287556) has the molecular formula C20H17BrFNO2 and a molecular weight of 402.26 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
PubChem CID10287556
Molecular FormulaC20H17BrFNO2
Molecular Weight402.26 g/mol
Exact Mass401.04
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)c1
InChIInChI=1S/C20H17BrFNO2/c1-14-4-2-6-16(10-14)13-25-18-8-9-23(20(24)19(18)21)12-15-5-3-7-17(22)11-15/h2-11H,12-13H2,1H3
InChIKeyIISRJGJCVGIBEC-UHFFFAOYSA-N
XLogP4.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[2-(hydroxymethyl)cyclohepta-1,3,5-trien-1-yl]methoxy]pyridin-2-one;ethane
CID 142275096
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one
CID 22051088
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one (CID 10287556) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one is Cc1cccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is IISRJGJCVGIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO2/c1-14-4-2-6-16(10-14)13-25-18-8-9-23(20(24)19(18)21)12-15-5-3-7-17(22)11-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 402.26 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 3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 10287556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).