2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide

C23H24Cl2N4O3 — CID 154877228

IUPAC2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(COc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-16-1-9-21(10-2-16)31-14-19-13-29(28-27-19)20-7-5-18(6-8-20)26-23(30)15-32-22-11-3-17(25)4-12-22/h1-4,9-13,18,20H,5-8,14-15H2,(H,26,30)
InChIKeyWUVOKCHZMAQBIR-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.84
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide

2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide (PubChem CID 154877228) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide
PubChem CID154877228
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(COc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-16-1-9-21(10-2-16)31-14-19-13-29(28-27-19)20-7-5-18(6-8-20)26-23(30)15-32-22-11-3-17(25)4-12-22/h1-4,9-13,18,20H,5-8,14-15H2,(H,26,30)
InChIKeyWUVOKCHZMAQBIR-UHFFFAOYSA-N
XLogP4.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42368275
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide (CID 154877228) is 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(COc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide?
The InChIKey is WUVOKCHZMAQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c24-16-1-9-21(10-2-16)31-14-19-13-29(28-27-19)20-7-5-18(6-8-20)26-23(30)15-32-22-11-3-17(25)4-12-22/h1-4,9-13,18,20H,5-8,14-15H2,(H,26,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide has a molecular weight of 475.38 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 154877228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).