4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide

C17H15F3N2O3 — CID 46681458

IUPAC4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c1-10-2-7-13(16(21)24)14(8-10)25-9-15(23)22-12-5-3-11(4-6-12)17(18,19)20/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyCXXMDPVMWIDMRH-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.13
Rot. Bonds5

About 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide

4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 46681458) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID46681458
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c1-10-2-7-13(16(21)24)14(8-10)25-9-15(23)22-12-5-3-11(4-6-12)17(18,19)20/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyCXXMDPVMWIDMRH-UHFFFAOYSA-N
XLogP3.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112828317
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-[2-(3,4-difluoroanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085786
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide (CID 46681458) is 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is CXXMDPVMWIDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10-2-7-13(16(21)24)14(8-10)25-9-15(23)22-12-5-3-11(4-6-12)17(18,19)20/h2-8H,9H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide?
4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 352.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 46681458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).