N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide

C21H22F3NO2 — CID 17389494

IUPACN-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H22F3NO2/c1-14(26)25-19-13-17(21(22,23)24)9-12-20(19)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
InChIKeyNDHZMLHCSSSPQS-UHFFFAOYSA-N
MW377.41 g/mol
LogP6.50
Rot. Bonds4

About N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide

N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 17389494) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID17389494
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H22F3NO2/c1-14(26)25-19-13-17(21(22,23)24)9-12-20(19)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
InChIKeyNDHZMLHCSSSPQS-UHFFFAOYSA-N
XLogP6.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)aniline
CID 671283
4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
(1R,2R,4R)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11921158
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4108810
3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 2811387
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 171356961
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 26918034

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 17389494) is N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NDHZMLHCSSSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-14(26)25-19-13-17(21(22,23)24)9-12-20(19)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26).
What are the key properties of N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide?
N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17389494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).