N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide

C15H19ClN2O2 — CID 3980105

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-20-14-3-2-11(8-12(14)16)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19)
InChIKeyZARWDCRMJUUPGI-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.17
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide (PubChem CID 3980105) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
PubChem CID3980105
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-20-14-3-2-11(8-12(14)16)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19)
InChIKeyZARWDCRMJUUPGI-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
CID 133178541
N-(1-azabicyclo[2.2.2]octan-3-yl)-8-chloronaphthalene-2-carboxamide
CID 22243458
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide (CID 3980105) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)NC2CN3CCC2CC3)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide?
The InChIKey is ZARWDCRMJUUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-20-14-3-2-11(8-12(14)16)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide has a molecular weight of 294.78 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 3980105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).