2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide

C15H20ClN3O2 — CID 90567514

IUPAC2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CN2CCN1CC2
InChIInChI=1S/C15H20ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)17-9-13-10-18-5-7-19(13)8-6-18/h1-4,13H,5-11H2,(H,17,20)
InChIKeyDPHIXLDFXBBYAM-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.83
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide (PubChem CID 90567514) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
PubChem CID90567514
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CN2CCN1CC2
InChIInChI=1S/C15H20ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)17-9-13-10-18-5-7-19(13)8-6-18/h1-4,13H,5-11H2,(H,17,20)
InChIKeyDPHIXLDFXBBYAM-UHFFFAOYSA-N
XLogP0.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 90567515
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
2-(4-chlorophenoxy)-N-[[1-(4-methoxyphenyl)azetidin-3-yl]methyl]acetamide
CID 137380565
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90567386
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
CID 137380578
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide (CID 90567514) is 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1)NCC1CN2CCN1CC2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The InChIKey is DPHIXLDFXBBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-1-3-14(4-2-12)21-11-15(20)17-9-13-10-18-5-7-19(13)8-6-18/h1-4,13H,5-11H2,(H,17,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide has a molecular weight of 309.80 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide is sourced from PubChem (CID 90567514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).