2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide

C17H23BrN2O — CID 79609850

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O/c1-11(15-4-2-3-5-16(15)18)19-17(21)10-12-8-13-6-7-14(9-12)20-13/h2-5,11-14,20H,6-10H2,1H3,(H,19,21)
InChIKeyIKXILJZKLOKDKA-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.55
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide (PubChem CID 79609850) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
PubChem CID79609850
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O/c1-11(15-4-2-3-5-16(15)18)19-17(21)10-12-8-13-6-7-14(9-12)20-13/h2-5,11-14,20H,6-10H2,1H3,(H,19,21)
InChIKeyIKXILJZKLOKDKA-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
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-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119816788
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
CID 119740648
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide
CID 81397344
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
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-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide (CID 79609850) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide is CC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1Br.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide?
The InChIKey is IKXILJZKLOKDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-11(15-4-2-3-5-16(15)18)19-17(21)10-12-8-13-6-7-14(9-12)20-13/h2-5,11-14,20H,6-10H2,1H3,(H,19,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide has a molecular weight of 351.29 g/mol, XLogP of 3.55, 4 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-[1-(2-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 79609850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).