2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride

C20H28Cl2N2O — CID 119806177

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
SMILESCC1CC1C(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H27ClN2O.ClH/c1-12-8-18(12)20(14-2-4-15(21)5-3-14)23-19(24)11-13-9-16-6-7-17(10-13)22-16;/h2-5,12-13,16-18,20,22H,6-11H2,1H3,(H,23,24);1H
InChIKeyWODRNVHHXSYKCK-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.50
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride (PubChem CID 119806177) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
PubChem CID119806177
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
SMILESCC1CC1C(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H27ClN2O.ClH/c1-12-8-18(12)20(14-2-4-15(21)5-3-14)23-19(24)11-13-9-16-6-7-17(10-13)22-16;/h2-5,12-13,16-18,20,22H,6-11H2,1H3,(H,23,24);1H
InChIKeyWODRNVHHXSYKCK-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119699940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119799887
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
CID 119794059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
2-[2-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]-2-oxoethyl]sulfanylacetamide
CID 99846898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride (CID 119806177) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride is CC1CC1C(NC(=O)CC1CC2CCC(C1)N2)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride?
The InChIKey is WODRNVHHXSYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O.ClH/c1-12-8-18(12)20(14-2-4-15(21)5-3-14)23-19(24)11-13-9-16-6-7-17(10-13)22-16;/h2-5,12-13,16-18,20,22H,6-11H2,1H3,(H,23,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride has a molecular weight of 383.36 g/mol, XLogP of 4.50, 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-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119806177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).