N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide

C14H17ClN2O — CID 2802540

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChIKeyNFCKUDVYRHEVOM-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.16
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide (PubChem CID 2802540) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide
PubChem CID2802540
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChIKeyNFCKUDVYRHEVOM-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide (CID 2802540) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide is O=C(NC1CN2CCC1CC2)c1cccc(Cl)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide?
The InChIKey is NFCKUDVYRHEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide has a molecular weight of 264.76 g/mol, XLogP of 2.16, 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)-3-chlorobenzamide is sourced from PubChem (CID 2802540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).