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

C23H24ClF2NO4 — CID 149043391

IUPAC2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESO=C(COc1cc(F)cc(F)c1)CC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClF2NO4/c24-16-3-7-21(8-4-16)31-14-23(29)27-19-5-1-15(2-6-19)9-20(28)13-30-22-11-17(25)10-18(26)12-22/h3-4,7-8,10-12,15,19H,1-2,5-6,9,13-14H2,(H,27,29)
InChIKeyQIANDAFXGPEYKT-UHFFFAOYSA-N
MW451.90 g/mol
LogP4.71
Rot. Bonds9

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

2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide (PubChem CID 149043391) has the molecular formula C23H24ClF2NO4 and a molecular weight of 451.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
PubChem CID149043391
Molecular FormulaC23H24ClF2NO4
Molecular Weight451.90 g/mol
Exact Mass451.14
IUPAC Name2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESO=C(COc1cc(F)cc(F)c1)CC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H24ClF2NO4/c24-16-3-7-21(8-4-16)31-14-23(29)27-19-5-1-15(2-6-19)9-20(28)13-30-22-11-17(25)10-18(26)12-22/h3-4,7-8,10-12,15,19H,1-2,5-6,9,13-14H2,(H,27,29)
InChIKeyQIANDAFXGPEYKT-UHFFFAOYSA-N
XLogP4.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 159066552
2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
CID 155618732
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
CID 153167840
2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 158031609

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide (CID 149043391) is 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide is O=C(COc1cc(F)cc(F)c1)CC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The InChIKey is QIANDAFXGPEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2NO4/c24-16-3-7-21(8-4-16)31-14-23(29)27-19-5-1-15(2-6-19)9-20(28)13-30-22-11-17(25)10-18(26)12-22/h3-4,7-8,10-12,15,19H,1-2,5-6,9,13-14H2,(H,27,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide has a molecular weight of 451.90 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide is sourced from PubChem (CID 149043391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).