4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H18BrFN2O5S — CID 90116031

IUPAC4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(Br)c(F)c2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H18BrFN2O5S/c1-17(16(23)20-24,27(2,25)26)6-8-21-7-5-12(10-15(21)22)11-3-4-13(18)14(19)9-11/h3-5,7,9-10,24H,6,8H2,1-2H3,(H,20,23)
InChIKeyLXSPUYXKNTUBJJ-UHFFFAOYSA-N
MW461.31 g/mol
LogP2.12
Rot. Bonds6

About 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116031) has the molecular formula C17H18BrFN2O5S and a molecular weight of 461.31 g/mol. Its IUPAC name is 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116031
Molecular FormulaC17H18BrFN2O5S
Molecular Weight461.31 g/mol
Exact Mass460.01
IUPAC Name4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(Br)c(F)c2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H18BrFN2O5S/c1-17(16(23)20-24,27(2,25)26)6-8-21-7-5-12(10-15(21)22)11-3-4-13(18)14(19)9-11/h3-5,7,9-10,24H,6,8H2,1-2H3,(H,20,23)
InChIKeyLXSPUYXKNTUBJJ-UHFFFAOYSA-N
XLogP2.12
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116031) is 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccc(Br)c(F)c2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is LXSPUYXKNTUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O5S/c1-17(16(23)20-24,27(2,25)26)6-8-21-7-5-12(10-15(21)22)11-3-4-13(18)14(19)9-11/h3-5,7,9-10,24H,6,8H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 461.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).