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

C16H21ClN2O — CID 115760408

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CC3CCC(C2)N3)ccc1Cl
InChIInChI=1S/C16H21ClN2O/c1-10-7-11(3-6-15(10)17)16(20)19(2)14-8-12-4-5-13(9-14)18-12/h3,6-7,12-14,18H,4-5,8-9H2,1-2H3
InChIKeyOIWHDEYKLGAZDG-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.00
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide (PubChem CID 115760408) 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)-4-chloro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
PubChem CID115760408
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CC3CCC(C2)N3)ccc1Cl
InChIInChI=1S/C16H21ClN2O/c1-10-7-11(3-6-15(10)17)16(20)19(2)14-8-12-4-5-13(9-14)18-12/h3,6-7,12-14,18H,4-5,8-9H2,1-2H3
InChIKeyOIWHDEYKLGAZDG-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.00
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)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
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)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
CID 61230667
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3-chloro-4-methylphenyl)-1-methylurea
CID 61231067
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
CID 61233345
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61233157
4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N,3-dimethylbenzamide
CID 19381392
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide (CID 115760408) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)C2CC3CCC(C2)N3)ccc1Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide?
The InChIKey is OIWHDEYKLGAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10-7-11(3-6-15(10)17)16(20)19(2)14-8-12-4-5-13(9-14)18-12/h3,6-7,12-14,18H,4-5,8-9H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide has a molecular weight of 292.81 g/mol, XLogP of 3.00, 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,3-dimethylbenzamide is sourced from PubChem (CID 115760408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).