2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

C16H16FNO2 — CID 776559

IUPAC2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(2)16(11)20-10-15(19)18-14-8-6-13(17)7-9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBLLHYILRJNKYKQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 776559) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID776559
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(2)16(11)20-10-15(19)18-14-8-6-13(17)7-9-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBLLHYILRJNKYKQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 63692768
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7910927
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (CID 776559) is 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is BLLHYILRJNKYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-4-3-5-12(2)16(11)20-10-15(19)18-14-8-6-13(17)7-9-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 776559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).