2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide

C15H19IN2O — CID 79606850

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccccc1I
InChIInChI=1S/C15H19IN2O/c16-13-3-1-2-4-14(13)18-15(19)9-10-7-11-5-6-12(8-10)17-11/h1-4,10-12,17H,5-9H2,(H,18,19)
InChIKeyOYJUEHZKGQFLKU-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.15
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide (PubChem CID 79606850) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
PubChem CID79606850
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccccc1I
InChIInChI=1S/C15H19IN2O/c16-13-3-1-2-4-14(13)18-15(19)9-10-7-11-5-6-12(8-10)17-11/h1-4,10-12,17H,5-9H2,(H,18,19)
InChIKeyOYJUEHZKGQFLKU-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
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-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide (CID 79606850) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccccc1I.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is OYJUEHZKGQFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-13-3-1-2-4-14(13)18-15(19)9-10-7-11-5-6-12(8-10)17-11/h1-4,10-12,17H,5-9H2,(H,18,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 370.23 g/mol, XLogP of 3.15, 3 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-iodophenyl)acetamide is sourced from PubChem (CID 79606850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).