N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide

C17H17F3N2O2 — CID 100712238

IUPACN-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide
SMILESCc1ccccc1CCNC(=O)COc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-12-4-2-3-5-13(12)6-8-22-16(23)11-24-14-7-9-21-15(10-14)17(18,19)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,23)
InChIKeyDQHKSGIGUBAERY-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide

N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide (PubChem CID 100712238) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide
PubChem CID100712238
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide
SMILESCc1ccccc1CCNC(=O)COc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-12-4-2-3-5-13(12)6-8-22-16(23)11-24-14-7-9-21-15(10-14)17(18,19)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,23)
InChIKeyDQHKSGIGUBAERY-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9289810
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 67337764
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide (CID 100712238) is N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide is Cc1ccccc1CCNC(=O)COc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide?
The InChIKey is DQHKSGIGUBAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-12-4-2-3-5-13(12)6-8-22-16(23)11-24-14-7-9-21-15(10-14)17(18,19)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide?
N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide has a molecular weight of 338.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 100712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).