N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

C15H20ClF3N2O2 — CID 119475585

IUPACN-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-2-1-3-13(8-10)22-9-14(21)20-12-6-4-11(19)5-7-12;/h1-3,8,11-12H,4-7,9,19H2,(H,20,21);1H
InChIKeyTVDXUGIAKSFBMK-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.89
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (PubChem CID 119475585) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
PubChem CID119475585
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC NameN-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-2-1-3-13(8-10)22-9-14(21)20-12-6-4-11(19)5-7-12;/h1-3,8,11-12H,4-7,9,19H2,(H,20,21);1H
InChIKeyTVDXUGIAKSFBMK-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 125058906
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride (CID 119475585) is N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is Cl.NC1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is TVDXUGIAKSFBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-2-1-3-13(8-10)22-9-14(21)20-12-6-4-11(19)5-7-12;/h1-3,8,11-12H,4-7,9,19H2,(H,20,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119475585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).