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

C21H17BrF2N2O3 — CID 11305782

IUPAC4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-15-6-7-16(23)9-17(15)24)19(22)21(28)26(12)10-13-2-4-14(5-3-13)20(25)27/h2-9H,10-11H2,1H3,(H2,25,27)
InChIKeyPHGFIDCHPGXZAU-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.92
Rot. Bonds6

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

4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 11305782) has the molecular formula C21H17BrF2N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID11305782
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-15-6-7-16(23)9-17(15)24)19(22)21(28)26(12)10-13-2-4-14(5-3-13)20(25)27/h2-9H,10-11H2,1H3,(H2,25,27)
InChIKeyPHGFIDCHPGXZAU-UHFFFAOYSA-N
XLogP3.92
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide (CID 11305782) is 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is PHGFIDCHPGXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c1-12-8-18(29-11-15-6-7-16(23)9-17(15)24)19(22)21(28)26(12)10-13-2-4-14(5-3-13)20(25)27/h2-9H,10-11H2,1H3,(H2,25,27).
What are the key properties of 4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide?
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide has a molecular weight of 463.28 g/mol, XLogP of 3.92, 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]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 11305782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).