N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H20F3NO2 — CID 8024431

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-11-5-2-3-8-14(11)20-15(21)10-22-13-7-4-6-12(9-13)16(17,18)19/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyIJHCLLOUUQDGTM-BXUZGUMPSA-N
MW315.33 g/mol
LogP3.78
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 8024431) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID8024431
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-11-5-2-3-8-14(11)20-15(21)10-22-13-7-4-6-12(9-13)16(17,18)19/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyIJHCLLOUUQDGTM-BXUZGUMPSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
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
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 4280884
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7505899

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 8024431) is N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is IJHCLLOUUQDGTM-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11-5-2-3-8-14(11)20-15(21)10-22-13-7-4-6-12(9-13)16(17,18)19/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,20,21)/t11-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 315.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 8024431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).