2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H16F3NO2 — CID 17071565

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2/c1-11-3-4-12(2)15(9-11)23-10-16(22)21-14-7-5-13(6-8-14)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyYJKPGBKKFKYMNR-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.34
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 17071565) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID17071565
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2/c1-11-3-4-12(2)15(9-11)23-10-16(22)21-14-7-5-13(6-8-14)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyYJKPGBKKFKYMNR-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
CID 46681458
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8909162
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112828317
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
CID 107655851
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 17071565) is 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YJKPGBKKFKYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-3-4-12(2)15(9-11)23-10-16(22)21-14-7-5-13(6-8-14)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 323.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).