N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide

C20H22N2O2 — CID 23198334

IUPACN-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2(O)CN3CCC2CC3)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(15-4-2-1-3-5-15)21-18-8-6-16(7-9-18)20(24)14-22-12-10-17(20)11-13-22/h1-9,17,24H,10-14H2,(H,21,23)
InChIKeyJGGAYRKTEUTMBX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide

N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide (PubChem CID 23198334) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide
PubChem CID23198334
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2(O)CN3CCC2CC3)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(15-4-2-1-3-5-15)21-18-8-6-16(7-9-18)20(24)14-22-12-10-17(20)11-13-22/h1-9,17,24H,10-14H2,(H,21,23)
InChIKeyJGGAYRKTEUTMBX-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 10661725
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
molecular hydrogen;N-phenylbenzamide
CID 145238042
3-(furan-3-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15196231
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide?
The IUPAC name of N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide (CID 23198334) is N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide is O=C(Nc1ccc(C2(O)CN3CCC2CC3)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide?
The InChIKey is JGGAYRKTEUTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(15-4-2-1-3-5-15)21-18-8-6-16(7-9-18)20(24)14-22-12-10-17(20)11-13-22/h1-9,17,24H,10-14H2,(H,21,23).
What are the key properties of N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide?
N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide is sourced from PubChem (CID 23198334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).