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

C20H14BrF4NO2 — CID 11224847

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(C(F)(F)F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H14BrF4NO2/c21-18-17(28-12-13-4-6-15(7-5-13)20(23,24)25)8-9-26(19(18)27)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyIWOJSYXFESMUOV-UHFFFAOYSA-N
MW456.23 g/mol
LogP5.40
Rot. Bonds5

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

3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (PubChem CID 11224847) has the molecular formula C20H14BrF4NO2 and a molecular weight of 456.23 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
PubChem CID11224847
Molecular FormulaC20H14BrF4NO2
Molecular Weight456.23 g/mol
Exact Mass455.01
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(C(F)(F)F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H14BrF4NO2/c21-18-17(28-12-13-4-6-15(7-5-13)20(23,24)25)8-9-26(19(18)27)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2
InChIKeyIWOJSYXFESMUOV-UHFFFAOYSA-N
XLogP5.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.23
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
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
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 21089821
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one (CID 11224847) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is O=c1c(Br)c(OCc2ccc(C(F)(F)F)cc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
The InChIKey is IWOJSYXFESMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF4NO2/c21-18-17(28-12-13-4-6-15(7-5-13)20(23,24)25)8-9-26(19(18)27)11-14-2-1-3-16(22)10-14/h1-10H,11-12H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one has a molecular weight of 456.23 g/mol, XLogP of 5.40, 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-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one is sourced from PubChem (CID 11224847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).