N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C17H16F3NO2 — CID 34280640

IUPACN-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-2-12-5-3-7-14(9-12)21-16(22)11-23-15-8-4-6-13(10-15)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyHQSQWHBBZWBZDC-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.29
Rot. Bonds5

About N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 34280640) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID34280640
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-2-12-5-3-7-14(9-12)21-16(22)11-23-15-8-4-6-13(10-15)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyHQSQWHBBZWBZDC-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 34280640) is N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is CCc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is HQSQWHBBZWBZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-2-12-5-3-7-14(9-12)21-16(22)11-23-15-8-4-6-13(10-15)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 323.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 34280640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).