(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

C21H23N3O2 — CID 142994358

IUPAC(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=CNc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1
InChIInChI=1S/C21H23N3O2/c25-14-22-18-5-1-15(2-6-18)16-3-7-19(8-4-16)23-21(26)20-13-24-11-9-17(20)10-12-24/h1-8,14,17,20H,9-13H2,(H,22,25)(H,23,26)/t20-/m0/s1
InChIKeyWOMSAYRZOQEJPL-FQEVSTJZSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds5

About (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 142994358) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID142994358
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=CNc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1
InChIInChI=1S/C21H23N3O2/c25-14-22-18-5-1-15(2-6-18)16-3-7-19(8-4-16)23-21(26)20-13-24-11-9-17(20)10-12-24/h1-8,14,17,20H,9-13H2,(H,22,25)(H,23,26)/t20-/m0/s1
InChIKeyWOMSAYRZOQEJPL-FQEVSTJZSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[4-[4-(methylcarbamoylamino)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11485757
[4-[4-[[(3S)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl] hydrogen carbonate
CID 69338916
N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 10236954
(3R)-N-[4-[4-[(3-chlorobenzoyl)amino]phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11317947
N-[4-[4-[(3-fluorobenzoyl)amino]phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 72958863
[4-[4-[[(3R)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 69338795
[4-[4-[[(3R)-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]phenyl]phenyl]methyl N-propan-2-ylcarbamate
CID 58742395
(3R)-N-[4-[4-(benzylsulfonylamino)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 11375684
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10017469
1-azabicyclo[2.2.2]octane-3-carbohydrazide
CID 573413
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 142994358) is (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide is O=CNc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1.
What is the InChIKey of (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is WOMSAYRZOQEJPL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-14-22-18-5-1-15(2-6-18)16-3-7-19(8-4-16)23-21(26)20-13-24-11-9-17(20)10-12-24/h1-8,14,17,20H,9-13H2,(H,22,25)(H,23,26)/t20-/m0/s1.
What are the key properties of (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 142994358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).