2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C22H24F3NO2 — CID 18147791

IUPAC2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)18-10-6-11-19(14-18)26-21(27)15-28-20-12-5-4-9-17(20)13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19H,6,10-11,13-15H2,(H,26,27)
InChIKeyRLOLOOJQMSLOLH-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.89
Rot. Bonds6

About 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 18147791) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID18147791
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC Name2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)18-10-6-11-19(14-18)26-21(27)15-28-20-12-5-4-9-17(20)13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19H,6,10-11,13-15H2,(H,26,27)
InChIKeyRLOLOOJQMSLOLH-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86918559
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 18147791) is 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is O=C(COc1ccccc1Cc1ccccc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is RLOLOOJQMSLOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c23-22(24,25)18-10-6-11-19(14-18)26-21(27)15-28-20-12-5-4-9-17(20)13-16-7-2-1-3-8-16/h1-5,7-9,12,18-19H,6,10-11,13-15H2,(H,26,27).
What are the key properties of 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 18147791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).