2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H14F3NO3 — CID 112781566

IUPAC2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-11(22)14-7-2-3-8-15(14)24-10-16(23)21-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyXBASTZTZBNFLGX-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 112781566) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID112781566
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-11(22)14-7-2-3-8-15(14)24-10-16(23)21-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyXBASTZTZBNFLGX-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1313623
(1,3-dioxoisoindol-2-yl)methyl 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4856332
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
2-[2-propan-2-yl-5-(trifluoromethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21204509
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4260548
[(3S)-2-oxooxolan-3-yl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2513576
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2413634
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526775
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 98399016

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 112781566) is 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XBASTZTZBNFLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-11(22)14-7-2-3-8-15(14)24-10-16(23)21-13-6-4-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 337.30 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112781566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).