2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C18H18F3NO2 — CID 26732852

IUPAC2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-13-4-2-3-5-16(13)24-12-17(23)22-11-10-14-6-8-15(9-7-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyLGNCWBFUHUXXNZ-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 26732852) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID26732852
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-13-4-2-3-5-16(13)24-12-17(23)22-11-10-14-6-8-15(9-7-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyLGNCWBFUHUXXNZ-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550577
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 26732852) is 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is Cc1ccccc1OCC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is LGNCWBFUHUXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-13-4-2-3-5-16(13)24-12-17(23)22-11-10-14-6-8-15(9-7-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 26732852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).