N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide

C22H24N2O2 — CID 119456900

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H24N2O2/c1-14-6-8-15(9-7-14)21(25)19-4-2-3-5-20(19)22(26)24-18-12-16-10-11-17(13-18)23-16/h2-9,16-18,23H,10-13H2,1H3,(H,24,26)
InChIKeyWUYQERXCSZUIJN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.24
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide (PubChem CID 119456900) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
PubChem CID119456900
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H24N2O2/c1-14-6-8-15(9-7-14)21(25)19-4-2-3-5-20(19)22(26)24-18-12-16-10-11-17(13-18)23-16/h2-9,16-18,23H,10-13H2,1H3,(H,24,26)
InChIKeyWUYQERXCSZUIJN-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
CID 65461644
N-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119459009
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(tetrazol-1-yl)benzamide
CID 119456565

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide (CID 119456900) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide?
The InChIKey is WUYQERXCSZUIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-6-8-15(9-7-14)21(25)19-4-2-3-5-20(19)22(26)24-18-12-16-10-11-17(13-18)23-16/h2-9,16-18,23H,10-13H2,1H3,(H,24,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.24, 4 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)-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 119456900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).