2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide

C22H23ClF2N2O4 — CID 121260487

IUPAC2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H23ClF2N2O4/c23-14-1-7-19(8-2-14)30-12-21(28)26-17-3-5-18(6-4-17)27-22(29)13-31-20-10-15(24)9-16(25)11-20/h1-2,7-11,17-18H,3-6,12-13H2,(H,26,28)(H,27,29)
InChIKeyULTGEUKDDQJIHT-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.62
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide

2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 121260487) has the molecular formula C22H23ClF2N2O4 and a molecular weight of 452.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID121260487
Molecular FormulaC22H23ClF2N2O4
Molecular Weight452.89 g/mol
Exact Mass452.13
IUPAC Name2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H23ClF2N2O4/c23-14-1-7-19(8-2-14)30-12-21(28)26-17-3-5-18(6-4-17)27-22(29)13-31-20-10-15(24)9-16(25)11-20/h1-2,7-11,17-18H,3-6,12-13H2,(H,26,28)(H,27,29)
InChIKeyULTGEUKDDQJIHT-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
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
2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
CID 155618732
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(3,5-difluorophenoxy)-N-(1-ethylpiperidin-4-yl)acetamide
CID 126804707
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide (CID 121260487) is 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is ULTGEUKDDQJIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N2O4/c23-14-1-7-19(8-2-14)30-12-21(28)26-17-3-5-18(6-4-17)27-22(29)13-31-20-10-15(24)9-16(25)11-20/h1-2,7-11,17-18H,3-6,12-13H2,(H,26,28)(H,27,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 452.89 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 121260487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).