N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide

C21H24N2O — CID 91404239

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C21H24N2O/c1-15-4-2-3-5-19(15)16-6-8-18(9-7-16)21(24)22-20-14-23-12-10-17(20)11-13-23/h2-9,17,20H,10-14H2,1H3,(H,22,24)
InChIKeyVVGFGTMOCWLVNK-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.49
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide (PubChem CID 91404239) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
PubChem CID91404239
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C21H24N2O/c1-15-4-2-3-5-19(15)16-6-8-18(9-7-16)21(24)22-20-14-23-12-10-17(20)11-13-23/h2-9,17,20H,10-14H2,1H3,(H,22,24)
InChIKeyVVGFGTMOCWLVNK-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 18775468
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-methylphenyl)pyrrole-1-carboxamide
CID 69422647
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3478875
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)benzamide
CID 119071573

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide (CID 91404239) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide is Cc1ccccc1-c1ccc(C(=O)NC2CN3CCC2CC3)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide?
The InChIKey is VVGFGTMOCWLVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15-4-2-3-5-19(15)16-6-8-18(9-7-16)21(24)22-20-14-23-12-10-17(20)11-13-23/h2-9,17,20H,10-14H2,1H3,(H,22,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide has a molecular weight of 320.44 g/mol, XLogP of 3.49, 3 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)-4-(2-methylphenyl)benzamide is sourced from PubChem (CID 91404239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).