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

C20H21FN2O — CID 67326377

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-3-1-2-17(12-18)14-4-6-16(7-5-14)20(24)22-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)
InChIKeyQCMMBRIOQWXOFQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.32
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide (PubChem CID 67326377) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
PubChem CID67326377
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-3-1-2-17(12-18)14-4-6-16(7-5-14)20(24)22-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24)
InChIKeyQCMMBRIOQWXOFQ-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 18181918
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 18775468
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide (CID 67326377) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide?
The InChIKey is QCMMBRIOQWXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-3-1-2-17(12-18)14-4-6-16(7-5-14)20(24)22-19-13-23-10-8-15(19)9-11-23/h1-7,12,15,19H,8-11,13H2,(H,22,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 3.32, 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-(3-fluorophenyl)benzamide is sourced from PubChem (CID 67326377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).