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

C14H16Cl2N2O — CID 61238974

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-4-1-8(5-13(12)16)14(19)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19)
InChIKeyMZRKOYQFWNUKEQ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.01
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide (PubChem CID 61238974) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
PubChem CID61238974
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-4-1-8(5-13(12)16)14(19)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19)
InChIKeyMZRKOYQFWNUKEQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119459246
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 140823182
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
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)-3,4-dipropoxybenzamide
CID 119458823

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide (CID 61238974) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide is O=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide?
The InChIKey is MZRKOYQFWNUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-12-4-1-8(5-13(12)16)14(19)18-11-6-9-2-3-10(7-11)17-9/h1,4-5,9-11,17H,2-3,6-7H2,(H,18,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide has a molecular weight of 299.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 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)-3,4-dichlorobenzamide is sourced from PubChem (CID 61238974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).