[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium

C27H26N3O4+ — CID 142838850

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium
SMILESO=C(Nc1cccc(-c2cccc3cc(C(=O)[NH2+][C@H]4CN5CCC4CC5)oc23)c1)c1ccco1
InChIInChI=1S/C27H25N3O4/c31-26(23-8-3-13-33-23)28-20-6-1-4-18(14-20)21-7-2-5-19-15-24(34-25(19)21)27(32)29-22-16-30-11-9-17(22)10-12-30/h1-8,13-15,17,22H,9-12,16H2,(H,28,31)(H,29,32)/p+1/t22-/m0/s1
InChIKeyRBKRCBKHLXRBGU-QFIPXVFZSA-O
MW456.52 g/mol
LogP3.74
Rot. Bonds5

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium

[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium (PubChem CID 142838850) has the molecular formula C27H26N3O4+ and a molecular weight of 456.52 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium
PubChem CID142838850
Molecular FormulaC27H26N3O4+
Molecular Weight456.52 g/mol
Exact Mass456.19
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium
SMILESO=C(Nc1cccc(-c2cccc3cc(C(=O)[NH2+][C@H]4CN5CCC4CC5)oc23)c1)c1ccco1
InChIInChI=1S/C27H25N3O4/c31-26(23-8-3-13-33-23)28-20-6-1-4-18(14-20)21-7-2-5-19-15-24(34-25(19)21)27(32)29-22-16-30-11-9-17(22)10-12-30/h1-8,13-15,17,22H,9-12,16H2,(H,28,31)(H,29,32)/p+1/t22-/m0/s1
InChIKeyRBKRCBKHLXRBGU-QFIPXVFZSA-O
XLogP3.74
TPSA92.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium 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-[3-[2-[2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]-1-benzofuran-7-yl]phenyl]furan-2-carboxamide
CID 58485507
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[3-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67314782
7-(3-aminophenyl)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 58675161
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 58675167
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
1-azabicyclo[2.2.2]octane;7-[3-(cyclobutanecarbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 142838803
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-(3-methoxyphenyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 67313686
3-[2-[[(7S)-1-azabicyclo[4.2.2]decan-7-yl]carbamoyl]-1-benzofuran-7-yl]benzoic acid
CID 70816817
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[3-(4-methanidylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 142838813
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-[3-(2-methylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67314320
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-[2-(hydroxymethyl)phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67314335

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium (CID 142838850) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium is O=C(Nc1cccc(-c2cccc3cc(C(=O)[NH2+][C@H]4CN5CCC4CC5)oc23)c1)c1ccco1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium?
The InChIKey is RBKRCBKHLXRBGU-QFIPXVFZSA-O. The full InChI is InChI=1S/C27H25N3O4/c31-26(23-8-3-13-33-23)28-20-6-1-4-18(14-20)21-7-2-5-19-15-24(34-25(19)21)27(32)29-22-16-30-11-9-17(22)10-12-30/h1-8,13-15,17,22H,9-12,16H2,(H,28,31)(H,29,32)/p+1/t22-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium has a molecular weight of 456.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl]-[7-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carbonyl]azanium is sourced from PubChem (CID 142838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).