2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C18H22F3NO3 — CID 18147803

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F3NO3/c1-11(23)12-6-7-16(25-2)13(8-12)9-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyLNRYPXATJIHWKR-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.68
Rot. Bonds5

About 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 18147803) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID18147803
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F3NO3/c1-11(23)12-6-7-16(25-2)13(8-12)9-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKeyLNRYPXATJIHWKR-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18117011
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 32686079
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105097261

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 18147803) is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is LNRYPXATJIHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c1-11(23)12-6-7-16(25-2)13(8-12)9-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,22,24).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 18147803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).