2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide

C16H22BrN3O — CID 61236329

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN2C3CCC2CC(N)C3)ccc1Br
InChIInChI=1S/C16H22BrN3O/c1-10-6-12(2-5-15(10)17)19-16(21)9-20-13-3-4-14(20)8-11(18)7-13/h2,5-6,11,13-14H,3-4,7-9,18H2,1H3,(H,19,21)
InChIKeyDWNRAQREMSLUIB-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 61236329) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID61236329
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN2C3CCC2CC(N)C3)ccc1Br
InChIInChI=1S/C16H22BrN3O/c1-10-6-12(2-5-15(10)17)19-16(21)9-20-13-3-4-14(20)8-11(18)7-13/h2,5-6,11,13-14H,3-4,7-9,18H2,1H3,(H,19,21)
InChIKeyDWNRAQREMSLUIB-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide with MolForge

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Related Compounds

1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 61234995
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672476
N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide (CID 61236329) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide is Cc1cc(NC(=O)CN2C3CCC2CC(N)C3)ccc1Br.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is DWNRAQREMSLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-10-6-12(2-5-15(10)17)19-16(21)9-20-13-3-4-14(20)8-11(18)7-13/h2,5-6,11,13-14H,3-4,7-9,18H2,1H3,(H,19,21).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 352.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 61236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).