N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C17H22F3NO2 — CID 125137707

IUPACN-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H]1C[C@@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H22F3NO2/c1-12-9-13(6-8-23-12)5-7-21-16(22)11-14-3-2-4-15(10-14)17(18,19)20/h2-4,10,12-13H,5-9,11H2,1H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyULMJZFVGNSXPFI-STQMWFEESA-N
MW329.36 g/mol
LogP3.57
Rot. Bonds5

About N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 125137707) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID125137707
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H]1C[C@@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H22F3NO2/c1-12-9-13(6-8-23-12)5-7-21-16(22)11-14-3-2-4-15(10-14)17(18,19)20/h2-4,10,12-13H,5-9,11H2,1H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyULMJZFVGNSXPFI-STQMWFEESA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 125137707) is N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is C[C@H]1C[C@@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ULMJZFVGNSXPFI-STQMWFEESA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-12-9-13(6-8-23-12)5-7-21-16(22)11-14-3-2-4-15(10-14)17(18,19)20/h2-4,10,12-13H,5-9,11H2,1H3,(H,21,22)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 125137707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).