N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide

C21H23ClN2O — CID 46891186

IUPACN-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide
SMILESO=C(NCC12CCN(CC1)CC2)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O/c22-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(25)23-15-21-8-11-24(12-9-21)13-10-21/h1-7,14H,8-13,15H2,(H,23,25)
InChIKeyISZWLCMWQJOEFG-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.22
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide

N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide (PubChem CID 46891186) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide
PubChem CID46891186
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide
SMILESO=C(NCC12CCN(CC1)CC2)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O/c22-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(25)23-15-21-8-11-24(12-9-21)13-10-21/h1-7,14H,8-13,15H2,(H,23,25)
InChIKeyISZWLCMWQJOEFG-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.22
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-4-ylmethyl)-2-(3-chlorophenyl)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide (CID 46891186) is N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide is O=C(NCC12CCN(CC1)CC2)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide?
The InChIKey is ISZWLCMWQJOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(25)23-15-21-8-11-24(12-9-21)13-10-21/h1-7,14H,8-13,15H2,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide?
N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-(3-chlorophenyl)benzamide has a molecular weight of 354.88 g/mol, XLogP of 4.22, 4 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-4-ylmethyl)-2-(3-chlorophenyl)benzamide is sourced from PubChem (CID 46891186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).