N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide

C14H16Cl2N2O — CID 3523885

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c15-10-1-2-11(12(16)7-10)14(19)17-13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H,17,19)
InChIKeyVJRQXKBXZHNOHO-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.82
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide (PubChem CID 3523885) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
PubChem CID3523885
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c15-10-1-2-11(12(16)7-10)14(19)17-13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H,17,19)
InChIKeyVJRQXKBXZHNOHO-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
CID 107988022
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-chloro-2-methoxybenzamide
CID 91592044
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 4286317
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)sulfanylbenzamide
CID 22045877
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-fluoropyridine-2-carboxamide
CID 22243459
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
CID 86272491
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide (CID 3523885) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide is O=C(NC1CN2CCC1CC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide?
The InChIKey is VJRQXKBXZHNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-10-1-2-11(12(16)7-10)14(19)17-13-8-18-5-3-9(13)4-6-18/h1-2,7,9,13H,3-6,8H2,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide has a molecular weight of 299.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 3523885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).