N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

C24H24ClFN2O3 — CID 162763855

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2cc(Cl)cc(-c3ccccc3OCCF)c2o1
InChIInChI=1S/C24H24ClFN2O3/c25-17-11-16-12-22(24(29)27-20-14-28-8-5-15(20)6-9-28)31-23(16)19(13-17)18-3-1-2-4-21(18)30-10-7-26/h1-4,11-13,15,20H,5-10,14H2,(H,27,29)
InChIKeyKBGOFGITDNESDT-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.93
Rot. Bonds6

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 162763855) has the molecular formula C24H24ClFN2O3 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID162763855
Molecular FormulaC24H24ClFN2O3
Molecular Weight442.92 g/mol
Exact Mass442.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2cc(Cl)cc(-c3ccccc3OCCF)c2o1
InChIInChI=1S/C24H24ClFN2O3/c25-17-11-16-12-22(24(29)27-20-14-28-8-5-15(20)6-9-28)31-23(16)19(13-17)18-3-1-2-4-21(18)30-10-7-26/h1-4,11-13,15,20H,5-10,14H2,(H,27,29)
InChIKeyKBGOFGITDNESDT-UHFFFAOYSA-N
XLogP4.93
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-7-(5-cyano-2-propan-2-yloxyphenyl)-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
CID 162763888
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 162763894
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-butoxyphenyl)-1-benzofuran-2-carboxamide
CID 168269389
5-chloro-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238093
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-[2-(methoxy)phenyl]-1-benzofuran-2-carboxamide
CID 9976826
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 142747242
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4-difluorophenyl)furan-2-yl]methanone
CID 142747243
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,5-difluorophenyl)furan-2-yl]methanone
CID 142747251
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,5-difluorophenyl)furan-2-yl]methanone
CID 142747252
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3-phenylphenyl)furan-2-yl]methanone
CID 142747254
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 142747258
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,4,5-trifluorophenyl)furan-2-yl]methanone
CID 142747273

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 162763855) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(NC1CN2CCC1CC2)c1cc2cc(Cl)cc(-c3ccccc3OCCF)c2o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KBGOFGITDNESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O3/c25-17-11-16-12-22(24(29)27-20-14-28-8-5-15(20)6-9-28)31-23(16)19(13-17)18-3-1-2-4-21(18)30-10-7-26/h1-4,11-13,15,20H,5-10,14H2,(H,27,29).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.93, 6 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-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).