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

C16H22ClN3O — CID 61231081

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22ClN3O/c1-20(15-8-13-6-7-14(9-15)18-13)10-16(21)19-12-4-2-11(17)3-5-12/h2-5,13-15,18H,6-10H2,1H3,(H,19,21)
InChIKeyQVKVAGXRLYRECV-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.49
Rot. Bonds4

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

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide (PubChem CID 61231081) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
PubChem CID61231081
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22ClN3O/c1-20(15-8-13-6-7-14(9-15)18-13)10-16(21)19-12-4-2-11(17)3-5-12/h2-5,13-15,18H,6-10H2,1H3,(H,19,21)
InChIKeyQVKVAGXRLYRECV-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide (CID 61231081) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is QVKVAGXRLYRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-20(15-8-13-6-7-14(9-15)18-13)10-16(21)19-12-4-2-11(17)3-5-12/h2-5,13-15,18H,6-10H2,1H3,(H,19,21).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 307.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 61231081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).