N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide

C15H19ClN2O — CID 61232970

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H19ClN2O/c1-18(14-8-12-6-7-13(9-14)17-12)15(19)10-2-4-11(16)5-3-10/h2-5,12-14,17H,6-9H2,1H3
InChIKeyPGUBCVMFDFKLBQ-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.69
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide (PubChem CID 61232970) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
PubChem CID61232970
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H19ClN2O/c1-18(14-8-12-6-7-13(9-14)17-12)15(19)10-2-4-11(16)5-3-10/h2-5,12-14,17H,6-9H2,1H3
InChIKeyPGUBCVMFDFKLBQ-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 61232593
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61233157
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
CID 61230667

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide (CID 61232970) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide?
The InChIKey is PGUBCVMFDFKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18(14-8-12-6-7-13(9-14)17-12)15(19)10-2-4-11(16)5-3-10/h2-5,12-14,17H,6-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide has a molecular weight of 278.78 g/mol, XLogP of 2.69, 2 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)-4-chloro-N-methylbenzamide is sourced from PubChem (CID 61232970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).