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

C20H15BrF2N2O3 — CID 11419523

IUPAC4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
InChIInChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-5-6-15(22)9-16(14)23)7-8-25(20(18)27)10-12-1-3-13(4-2-12)19(24)26/h1-9H,10-11H2,(H2,24,26)
InChIKeyRFOHLLROMHBLCG-UHFFFAOYSA-N
MW449.25 g/mol
LogP3.62
Rot. Bonds6

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

4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 11419523) has the molecular formula C20H15BrF2N2O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID11419523
Molecular FormulaC20H15BrF2N2O3
Molecular Weight449.25 g/mol
Exact Mass448.02
IUPAC Name4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
InChIInChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-5-6-15(22)9-16(14)23)7-8-25(20(18)27)10-12-1-3-13(4-2-12)19(24)26/h1-9H,10-11H2,(H2,24,26)
InChIKeyRFOHLLROMHBLCG-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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Related Compounds

3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
1-[[1,3-bis(3-hydroxypropanoyl)-2H-benzimidazol-5-yl]methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
CID 22050670
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 10151181
4-[[3-bromo-4-(2,4-difluorophenoxy)-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 22050923
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyridin-2-one
CID 22050971
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
6-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide
CID 22050646
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]-3-[2-(methylamino)acetyl]-2-oxobenzimidazole-1-carboxamide
CID 22050567
1-[[3-acetyl-1-(2-hydroxy-2-methylpropanoyl)-2H-benzimidazol-5-yl]methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
CID 22050975
1-[[3-acetyl-1-(3-hydroxypropanoyl)-2H-benzimidazol-5-yl]methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
CID 22050679

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide (CID 11419523) is 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide is NC(=O)c1ccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1.
What is the InChIKey of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is RFOHLLROMHBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3/c21-18-17(28-11-14-5-6-15(22)9-16(14)23)7-8-25(20(18)27)10-12-1-3-13(4-2-12)19(24)26/h1-9H,10-11H2,(H2,24,26).
What are the key properties of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide?
4-[[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 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 11419523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).