2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H18F3NO3 — CID 2126324

IUPAC2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOCCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO3/c1-24-10-9-13-5-7-16(8-6-13)25-12-17(23)22-15-4-2-3-14(11-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23)
InChIKeyURWDRVSJMVUBHV-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2126324) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2126324
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOCCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO3/c1-24-10-9-13-5-7-16(8-6-13)25-12-17(23)22-15-4-2-3-14(11-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23)
InChIKeyURWDRVSJMVUBHV-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21366819
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2126324) is 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is COCCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is URWDRVSJMVUBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-24-10-9-13-5-7-16(8-6-13)25-12-17(23)22-15-4-2-3-14(11-15)18(19,20)21/h2-8,11H,9-10,12H2,1H3,(H,22,23).
What are the key properties of 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).