2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride

C18H25Cl3N2O — CID 119768757

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
SMILESCC(CNC(=O)CC1CC2CCC(C1)N2)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-11(18-15(19)3-2-4-16(18)20)10-21-17(23)9-12-7-13-5-6-14(8-12)22-13;/h2-4,11-14,22H,5-10H2,1H3,(H,21,23);1H
InChIKeyJEHKNGMFLMUWNT-UHFFFAOYSA-N
MW391.77 g/mol
LogP4.56
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride (PubChem CID 119768757) has the molecular formula C18H25Cl3N2O and a molecular weight of 391.77 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
PubChem CID119768757
Molecular FormulaC18H25Cl3N2O
Molecular Weight391.77 g/mol
Exact Mass390.10
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
SMILESCC(CNC(=O)CC1CC2CCC(C1)N2)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-11(18-15(19)3-2-4-16(18)20)10-21-17(23)9-12-7-13-5-6-14(8-12)22-13;/h2-4,11-14,22H,5-10H2,1H3,(H,21,23);1H
InChIKeyJEHKNGMFLMUWNT-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride (CID 119768757) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride is CC(CNC(=O)CC1CC2CCC(C1)N2)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride?
The InChIKey is JEHKNGMFLMUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O.ClH/c1-11(18-15(19)3-2-4-16(18)20)10-21-17(23)9-12-7-13-5-6-14(8-12)22-13;/h2-4,11-14,22H,5-10H2,1H3,(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride has a molecular weight of 391.77 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119768757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).