3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide

C22H19BrF2N2O4 — CID 87997656

IUPAC3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)O)cc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F
InChIInChI=1S/C22H19BrF2N2O4/c1-11-4-5-13(22(29)27(3)30)8-16(11)18-12(2)26-21(28)19(23)20(18)31-10-14-6-7-15(24)9-17(14)25/h4-9,30H,10H2,1-3H3,(H,26,28)
InChIKeyKAESZSYBABHCQE-UHFFFAOYSA-N
MW493.30 g/mol
LogP4.74
Rot. Bonds5

About 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide

3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide (PubChem CID 87997656) has the molecular formula C22H19BrF2N2O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide
PubChem CID87997656
Molecular FormulaC22H19BrF2N2O4
Molecular Weight493.30 g/mol
Exact Mass492.05
IUPAC Name3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)O)cc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F
InChIInChI=1S/C22H19BrF2N2O4/c1-11-4-5-13(22(29)27(3)30)8-16(11)18-12(2)26-21(28)19(23)20(18)31-10-14-6-7-15(24)9-17(14)25/h4-9,30H,10H2,1-3H3,(H,26,28)
InChIKeyKAESZSYBABHCQE-UHFFFAOYSA-N
XLogP4.74
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide (CID 87997656) is 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)O)cc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F.
What is the InChIKey of 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide?
The InChIKey is KAESZSYBABHCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O4/c1-11-4-5-13(22(29)27(3)30)8-16(11)18-12(2)26-21(28)19(23)20(18)31-10-14-6-7-15(24)9-17(14)25/h4-9,30H,10H2,1-3H3,(H,26,28).
What are the key properties of 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide?
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide has a molecular weight of 493.30 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]-N-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 87997656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).