4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide

C20H15BrF2N2O3 — CID 22050923

IUPAC4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1cc(Oc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H15BrF2N2O3/c1-11-8-17(28-16-7-6-14(22)9-15(16)23)18(21)20(27)25(11)10-12-2-4-13(5-3-12)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
InChIKeyJNWPTWRAXXQJPJ-UHFFFAOYSA-N
MW449.25 g/mol
LogP4.14
Rot. Bonds5

About 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide

4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 22050923) has the molecular formula C20H15BrF2N2O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID22050923
Molecular FormulaC20H15BrF2N2O3
Molecular Weight449.25 g/mol
Exact Mass448.02
IUPAC Name4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1cc(Oc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H15BrF2N2O3/c1-11-8-17(28-16-7-6-14(22)9-15(16)23)18(21)20(27)25(11)10-12-2-4-13(5-3-12)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
InChIKeyJNWPTWRAXXQJPJ-UHFFFAOYSA-N
XLogP4.14
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyridin-2-one
CID 22050971
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
CID 11419523
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 10194628
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 11270757
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
1-[(3-aminophenyl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050290
[1-[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]anilino]-1-oxopropan-2-yl] acetate
CID 21035288
[3-bromo-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-4-pyridinyl] trifluoromethanesulfonate
CID 21035314
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-methoxyacetamide
CID 22050071

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide (CID 22050923) is 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide is Cc1cc(Oc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is JNWPTWRAXXQJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3/c1-11-8-17(28-16-7-6-14(22)9-15(16)23)18(21)20(27)25(11)10-12-2-4-13(5-3-12)19(24)26/h2-9H,10H2,1H3,(H2,24,26).
What are the key properties of 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide has a molecular weight of 449.25 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 22050923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).