N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride

C21H24Cl2N2O2 — CID 119456429

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H23ClN2O2.ClH/c22-19-10-15(14-4-2-1-3-5-14)6-9-20(19)26-13-21(25)24-18-11-16-7-8-17(12-18)23-16;/h1-6,9-10,16-18,23H,7-8,11-13H2,(H,24,25);1H
InChIKeyRCKLYTBWUCXBDJ-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.21
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride (PubChem CID 119456429) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
PubChem CID119456429
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H23ClN2O2.ClH/c22-19-10-15(14-4-2-1-3-5-14)6-9-20(19)26-13-21(25)24-18-11-16-7-8-17(12-18)23-16;/h1-6,9-10,16-18,23H,7-8,11-13H2,(H,24,25);1H
InChIKeyRCKLYTBWUCXBDJ-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119455158
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 46454463
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylmethoxyacetamide;hydrochloride
CID 119457057
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546814
2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534791
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119458161
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride (CID 119456429) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride is Cl.O=C(COc1ccc(-c2ccccc2)cc1Cl)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The InChIKey is RCKLYTBWUCXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2.ClH/c22-19-10-15(14-4-2-1-3-5-14)6-9-20(19)26-13-21(25)24-18-11-16-7-8-17(12-18)23-16;/h1-6,9-10,16-18,23H,7-8,11-13H2,(H,24,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride has a molecular weight of 407.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119456429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).