2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O2 — CID 1396653

IUPAC2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C21H23F3N2O2/c1-15-7-3-4-8-19(15)28-14-20(27)25-17-13-16(21(22,23)24)9-10-18(17)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeyXKDYQDGYVVEGST-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.02
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1396653) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1396653
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C21H23F3N2O2/c1-15-7-3-4-8-19(15)28-14-20(27)25-17-13-16(21(22,23)24)9-10-18(17)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeyXKDYQDGYVVEGST-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2461519
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 22777363
[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-oxopentanoate
CID 9199101

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 1396653) is 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XKDYQDGYVVEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-15-7-3-4-8-19(15)28-14-20(27)25-17-13-16(21(22,23)24)9-10-18(17)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).