2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide

C17H23ClN2O — CID 65471032

IUPAC2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
SMILESCN1C2CCCC1CC(NC(=O)C(Cl)c1ccccc1)C2
InChIInChI=1S/C17H23ClN2O/c1-20-14-8-5-9-15(20)11-13(10-14)19-17(21)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3,(H,19,21)
InChIKeyDFMVZASSOZDGMU-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide

2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide (PubChem CID 65471032) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
PubChem CID65471032
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
SMILESCN1C2CCCC1CC(NC(=O)C(Cl)c1ccccc1)C2
InChIInChI=1S/C17H23ClN2O/c1-20-14-8-5-9-15(20)11-13(10-14)19-17(21)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3,(H,19,21)
InChIKeyDFMVZASSOZDGMU-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
CID 64734444
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-(4-chlorophenyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
CID 166244673
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide (CID 65471032) is 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide is CN1C2CCCC1CC(NC(=O)C(Cl)c1ccccc1)C2.
What is the InChIKey of 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide?
The InChIKey is DFMVZASSOZDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-20-14-8-5-9-15(20)11-13(10-14)19-17(21)16(18)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide?
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide has a molecular weight of 306.84 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide is sourced from PubChem (CID 65471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).