N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide

C15H18Cl2N2O2 — CID 4286317

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CN2CCC1CC2
InChIInChI=1S/C15H18Cl2N2O2/c16-11-1-2-14(12(17)7-11)21-9-15(20)18-13-8-19-5-3-10(13)4-6-19/h1-2,7,10,13H,3-6,8-9H2,(H,18,20)
InChIKeyFGRWDINVROPCDD-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.58
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 4286317) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID4286317
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CN2CCC1CC2
InChIInChI=1S/C15H18Cl2N2O2/c16-11-1-2-14(12(17)7-11)21-9-15(20)18-13-8-19-5-3-10(13)4-6-19/h1-2,7,10,13H,3-6,8-9H2,(H,18,20)
InChIKeyFGRWDINVROPCDD-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
CID 3892335
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 3414044
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 90567515
2-(2,4-dichlorophenoxy)-N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]acetamide
CID 133134780
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577365

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 4286317) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is FGRWDINVROPCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-1-2-14(12(17)7-11)21-9-15(20)18-13-8-19-5-3-10(13)4-6-19/h1-2,7,10,13H,3-6,8-9H2,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 329.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 4286317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).