2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H15F3N4O2 — CID 46366675

IUPAC2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(-n2cnnc2)c1
InChIInChI=1S/C18H15F3N4O2/c1-12-6-7-16(15(8-12)25-10-22-23-11-25)27-9-17(26)24-14-5-3-2-4-13(14)18(19,20)21/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyYTGGQKWUFBAWQZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.61
Rot. Bonds5

About 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 46366675) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID46366675
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(-n2cnnc2)c1
InChIInChI=1S/C18H15F3N4O2/c1-12-6-7-16(15(8-12)25-10-22-23-11-25)27-9-17(26)24-14-5-3-2-4-13(14)18(19,20)21/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyYTGGQKWUFBAWQZ-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890141
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890185
2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 39890234
N-(4-ethoxyphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366665
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylbenzoate
CID 2520046
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 46366675) is 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(-n2cnnc2)c1.
What is the InChIKey of 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YTGGQKWUFBAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-12-6-7-16(15(8-12)25-10-22-23-11-25)27-9-17(26)24-14-5-3-2-4-13(14)18(19,20)21/h2-8,10-11H,9H2,1H3,(H,24,26).
What are the key properties of 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46366675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).