2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide

C17H21F4NO2 — CID 86971032

IUPAC2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
SMILESCC1CCCCC1OCC(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C17H21F4NO2/c1-11-4-2-3-5-14(11)24-10-15(23)22-16(17(19,20)21)12-6-8-13(18)9-7-12/h6-9,11,14,16H,2-5,10H2,1H3,(H,22,23)
InChIKeyVAAYRAUZVYHXES-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide

2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 86971032) has the molecular formula C17H21F4NO2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID86971032
Molecular FormulaC17H21F4NO2
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC Name2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
SMILESCC1CCCCC1OCC(=O)NC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C17H21F4NO2/c1-11-4-2-3-5-14(11)24-10-15(23)22-16(17(19,20)21)12-6-8-13(18)9-7-12/h6-9,11,14,16H,2-5,10H2,1H3,(H,22,23)
InChIKeyVAAYRAUZVYHXES-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
CID 86971033
2-methyl-3-[[2-(2-methylcyclohexyl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 119219183
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[(1S,2R)-2-methylcyclohexyl]oxyacetamide
CID 100849468
(3R)-3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]butanoic acid
CID 98851450
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide
CID 95971888
2-cyclohexyloxy-N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 97237223
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876747
2-[[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186037
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119724701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide (CID 86971032) is 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide is CC1CCCCC1OCC(=O)NC(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VAAYRAUZVYHXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4NO2/c1-11-4-2-3-5-14(11)24-10-15(23)22-16(17(19,20)21)12-6-8-13(18)9-7-12/h6-9,11,14,16H,2-5,10H2,1H3,(H,22,23).
What are the key properties of 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide?
2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)oxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 86971032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).