2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C18H23ClF3NO3 — CID 55775298

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C18H23ClF3NO3/c19-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-11-17(24)23-8-9-25-12-18(20,21)22/h6-7,10,13H,1-5,8-9,11-12H2,(H,23,24)
InChIKeyDANTYPVYDQSDCQ-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.46
Rot. Bonds8

About 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 55775298) has the molecular formula C18H23ClF3NO3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID55775298
Molecular FormulaC18H23ClF3NO3
Molecular Weight393.83 g/mol
Exact Mass393.13
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C18H23ClF3NO3/c19-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-11-17(24)23-8-9-25-12-18(20,21)22/h6-7,10,13H,1-5,8-9,11-12H2,(H,23,24)
InChIKeyDANTYPVYDQSDCQ-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 4789101
2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2117470
3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 52556678
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55560316
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 78889023

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 55775298) is 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is O=C(COc1ccc(Cl)cc1C1CCCCC1)NCCOCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is DANTYPVYDQSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3NO3/c19-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-11-17(24)23-8-9-25-12-18(20,21)22/h6-7,10,13H,1-5,8-9,11-12H2,(H,23,24).
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 393.83 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 55775298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).