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

C21H17BrF2N2O4 — CID 22050182

IUPAC3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)NO)c1
InChIInChI=1S/C21H17BrF2N2O4/c1-12-7-18(30-11-15-5-6-16(23)9-17(15)24)19(22)21(28)26(12)10-13-3-2-4-14(8-13)20(27)25-29/h2-9,29H,10-11H2,1H3,(H,25,27)
InChIKeyXVPBHWKWGYFYLN-UHFFFAOYSA-N
MW479.28 g/mol
LogP3.94
Rot. Bonds6

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

3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide (PubChem CID 22050182) has the molecular formula C21H17BrF2N2O4 and a molecular weight of 479.28 g/mol. Its IUPAC name is 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide
PubChem CID22050182
Molecular FormulaC21H17BrF2N2O4
Molecular Weight479.28 g/mol
Exact Mass478.03
IUPAC Name3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)NO)c1
InChIInChI=1S/C21H17BrF2N2O4/c1-12-7-18(30-11-15-5-6-16(23)9-17(15)24)19(22)21(28)26(12)10-13-3-2-4-14(8-13)20(27)25-29/h2-9,29H,10-11H2,1H3,(H,25,27)
InChIKeyXVPBHWKWGYFYLN-UHFFFAOYSA-N
XLogP3.94
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]methyl]-N-hydroxybenzamide?
The IUPAC name of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide (CID 22050182) is 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)NO)c1.
What is the InChIKey of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide?
The InChIKey is XVPBHWKWGYFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O4/c1-12-7-18(30-11-15-5-6-16(23)9-17(15)24)19(22)21(28)26(12)10-13-3-2-4-14(8-13)20(27)25-29/h2-9,29H,10-11H2,1H3,(H,25,27).
What are the key properties of 3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide?
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide has a molecular weight of 479.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 22050182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).