2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C16H20F3NO — CID 55447256

IUPAC2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-8-6-13(7-9-14)11-20-15(21)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,20,21)
InChIKeyVRPCUGXRODKGOD-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55447256) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55447256
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-8-6-13(7-9-14)11-20-15(21)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,20,21)
InChIKeyVRPCUGXRODKGOD-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
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CID 107233781
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 55447256) is 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VRPCUGXRODKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)14-8-6-13(7-9-14)11-20-15(21)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,20,21).
What are the key properties of 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 299.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55447256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).