N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide

C16H21ClN2O — CID 61232593

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21ClN2O/c1-19(15-9-13-6-7-14(10-15)18-13)16(20)8-11-2-4-12(17)5-3-11/h2-5,13-15,18H,6-10H2,1H3
InChIKeyWNBFSRFCVJSBRZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.62
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 61232593) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID61232593
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21ClN2O/c1-19(15-9-13-6-7-14(10-15)18-13)16(20)8-11-2-4-12(17)5-3-11/h2-5,13-15,18H,6-10H2,1H3
InChIKeyWNBFSRFCVJSBRZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
CID 99850402
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148379
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61233157
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide (CID 61232593) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is WNBFSRFCVJSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-19(15-9-13-6-7-14(10-15)18-13)16(20)8-11-2-4-12(17)5-3-11/h2-5,13-15,18H,6-10H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 292.81 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 61232593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).