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

C15H18ClFN2O — CID 82879416

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(Cl)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H18ClFN2O/c1-19(12-7-10-3-4-11(8-12)18-10)15(20)9-2-5-14(17)13(16)6-9/h2,5-6,10-12,18H,3-4,7-8H2,1H3
InChIKeyZVAVAWUOTIYBBX-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.83
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide (PubChem CID 82879416) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
PubChem CID82879416
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(Cl)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H18ClFN2O/c1-19(12-7-10-3-4-11(8-12)18-10)15(20)9-2-5-14(17)13(16)6-9/h2,5-6,10-12,18H,3-4,7-8H2,1H3
InChIKeyZVAVAWUOTIYBBX-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-4-chloro-N,3-dimethylbenzamide
CID 115760408
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)-N-methylbenzamide;hydrochloride
CID 71758248
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61233157
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)-N-methyl-3-nitrobenzamide
CID 61230667

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide (CID 82879416) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)c(Cl)c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is ZVAVAWUOTIYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-19(12-7-10-3-4-11(8-12)18-10)15(20)9-2-5-14(17)13(16)6-9/h2,5-6,10-12,18H,3-4,7-8H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 296.77 g/mol, XLogP of 2.83, 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)-3-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 82879416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).