N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide

C15H18Cl2N2O2 — CID 119457942

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18Cl2N2O2/c1-21-14-7-13(17)12(16)6-11(14)15(20)19-10-4-8-2-3-9(5-10)18-8/h6-10,18H,2-5H2,1H3,(H,19,20)
InChIKeyURLABZQTTCOUHM-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.01
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide (PubChem CID 119457942) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
PubChem CID119457942
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
SMILESCOc1cc(Cl)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18Cl2N2O2/c1-21-14-7-13(17)12(16)6-11(14)15(20)19-10-4-8-2-3-9(5-10)18-8/h6-10,18H,2-5H2,1H3,(H,19,20)
InChIKeyURLABZQTTCOUHM-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
CID 119459098
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide (CID 119457942) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide is COc1cc(Cl)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide?
The InChIKey is URLABZQTTCOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-21-14-7-13(17)12(16)6-11(14)15(20)19-10-4-8-2-3-9(5-10)18-8/h6-10,18H,2-5H2,1H3,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide has a molecular weight of 329.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 119457942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).