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

C20H15BrF2N2O3 — CID 22050120

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(N)=O)c1
InChIInChI=1S/C20H15BrF2N2O3/c1-11-7-17(28-10-13-5-6-14(22)9-16(13)23)18(21)20(27)25(11)15-4-2-3-12(8-15)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
InChIKeySFIVNQRKHWCDQO-UHFFFAOYSA-N
MW449.25 g/mol
LogP3.86
Rot. Bonds5

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide (PubChem CID 22050120) has the molecular formula C20H15BrF2N2O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide
PubChem CID22050120
Molecular FormulaC20H15BrF2N2O3
Molecular Weight449.25 g/mol
Exact Mass448.02
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(N)=O)c1
InChIInChI=1S/C20H15BrF2N2O3/c1-11-7-17(28-10-13-5-6-14(22)9-16(13)23)18(21)20(27)25(11)15-4-2-3-12(8-15)19(24)26/h2-9H,10H2,1H3,(H2,24,26)
InChIKeySFIVNQRKHWCDQO-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide (CID 22050120) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide?
The InChIKey is SFIVNQRKHWCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3/c1-11-7-17(28-10-13-5-6-14(22)9-16(13)23)18(21)20(27)25(11)15-4-2-3-12(8-15)19(24)26/h2-9H,10H2,1H3,(H2,24,26).
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide has a molecular weight of 449.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]benzamide is sourced from PubChem (CID 22050120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).