N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide

C18H19ClN2O3 — CID 18181590

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H19ClN2O3/c19-13-1-3-14(4-2-13)23-17-6-5-16(24-17)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyXMYKUKRZEMAHJI-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.55
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide (PubChem CID 18181590) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide
PubChem CID18181590
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H19ClN2O3/c19-13-1-3-14(4-2-13)23-17-6-5-16(24-17)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyXMYKUKRZEMAHJI-UHFFFAOYSA-N
XLogP3.55
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(4-tert-butylphenoxy)methyl]furan-2-carboxamide
CID 91948491
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)sulfanylbenzamide
CID 22045877
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383899
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide (CID 18181590) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(Oc2ccc(Cl)cc2)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide?
The InChIKey is XMYKUKRZEMAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-13-1-3-14(4-2-13)23-17-6-5-16(24-17)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide is sourced from PubChem (CID 18181590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).