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

C20H15BrF2N2O3 — CID 11201740

IUPAC3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-4-5-15(22)9-16(14)23)6-7-25(20(18)27)10-12-2-1-3-13(8-12)19(24)26/h1-9H,10-11H2,(H2,24,26)
InChIKeyCUKFFPYJTUEKQA-UHFFFAOYSA-N
MW449.25 g/mol
LogP3.62
Rot. Bonds6

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

3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 11201740) 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]-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID11201740
Molecular FormulaC20H15BrF2N2O3
Molecular Weight449.25 g/mol
Exact Mass448.02
IUPAC Name3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
InChIInChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-4-5-15(22)9-16(14)23)6-7-25(20(18)27)10-12-2-1-3-13(8-12)19(24)26/h1-9H,10-11H2,(H2,24,26)
InChIKeyCUKFFPYJTUEKQA-UHFFFAOYSA-N
XLogP3.62
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.25
LogP ≤ 53.62
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]-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide (CID 11201740) is 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide is NC(=O)c1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1.
What is the InChIKey of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is CUKFFPYJTUEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-4-5-15(22)9-16(14)23)6-7-25(20(18)27)10-12-2-1-3-13(8-12)19(24)26/h1-9H,10-11H2,(H2,24,26).
What are the key properties of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide has a molecular weight of 449.25 g/mol, XLogP of 3.62, 6 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]-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 11201740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).