4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide

C18H18F4N2O4 — CID 88887215

IUPAC4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(OC(F)(F)F)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C18H18F4N2O4/c1-17(2,16(26)23-27)7-8-24-10-14(19)13(9-15(24)25)11-3-5-12(6-4-11)28-18(20,21)22/h3-6,9-10,27H,7-8H2,1-2H3,(H,23,26)
InChIKeyKOBUYJKJXZLKMF-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.47
Rot. Bonds6

About 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide

4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 88887215) has the molecular formula C18H18F4N2O4 and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID88887215
Molecular FormulaC18H18F4N2O4
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC Name4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(OC(F)(F)F)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C18H18F4N2O4/c1-17(2,16(26)23-27)7-8-24-10-14(19)13(9-15(24)25)11-3-5-12(6-4-11)28-18(20,21)22/h3-6,9-10,27H,7-8H2,1-2H3,(H,23,26)
InChIKeyKOBUYJKJXZLKMF-UHFFFAOYSA-N
XLogP3.47
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.47
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 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (CID 88887215) is 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide is CC(C)(CCn1cc(F)c(-c2ccc(OC(F)(F)F)cc2)cc1=O)C(=O)NO.
What is the InChIKey of 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is KOBUYJKJXZLKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4/c1-17(2,16(26)23-27)7-8-24-10-14(19)13(9-15(24)25)11-3-5-12(6-4-11)28-18(20,21)22/h3-6,9-10,27H,7-8H2,1-2H3,(H,23,26).
What are the key properties of 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 402.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 88887215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).