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

C24H25N3O2 — CID 18180723

IUPAC5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccc(Nc3ccccc3)cc2)o1
InChIInChI=1S/C24H25N3O2/c28-24(26-21-16-27-14-12-17(21)13-15-27)23-11-10-22(29-23)18-6-8-20(9-7-18)25-19-4-2-1-3-5-19/h1-11,17,21,25H,12-16H2,(H,26,28)
InChIKeySNVPPLMUMSTPLS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.51
Rot. Bonds5

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

5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (PubChem CID 18180723) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
PubChem CID18180723
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccc(Nc3ccccc3)cc2)o1
InChIInChI=1S/C24H25N3O2/c28-24(26-21-16-27-14-12-17(21)13-15-27)23-11-10-22(29-23)18-6-8-20(9-7-18)25-19-4-2-1-3-5-19/h1-11,17,21,25H,12-16H2,(H,26,28)
InChIKeySNVPPLMUMSTPLS-UHFFFAOYSA-N
XLogP4.51
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
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)-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181198
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 11518929
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(benzenesulfonamido)phenyl]furan-2-carboxamide
CID 18181787
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-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 18181247
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
CID 20815050
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
CID 18182046

Frequently Asked Questions

What is the IUPAC name of 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide (CID 18180723) is 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2ccc(Nc3ccccc3)cc2)o1.
What is the InChIKey of 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
The InChIKey is SNVPPLMUMSTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(26-21-16-27-14-12-17(21)13-15-27)23-11-10-22(29-23)18-6-8-20(9-7-18)25-19-4-2-1-3-5-19/h1-11,17,21,25H,12-16H2,(H,26,28).
What are the key properties of 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide?
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18180723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).