2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide

C12H17FN2O2 — CID 115282956

IUPAC2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-4-12(2,3)15-11(16)8-17-9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyQEOPUZWKWAIJOJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.90
Rot. Bonds5

About 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide

2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 115282956) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID115282956
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-4-12(2,3)15-11(16)8-17-9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyQEOPUZWKWAIJOJ-UHFFFAOYSA-N
XLogP1.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
CID 115371607
N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79783379
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
CID 166386485
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide (CID 115282956) is 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is QEOPUZWKWAIJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-12(2,3)15-11(16)8-17-9-5-6-10(13)14-7-9/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide?
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115282956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).