N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide

C23H23FN2O2 — CID 54362316

IUPACN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-17-5-3-15(4-6-17)23(27)25-18-7-8-22-20(13-18)21(14-28-22)16-9-11-26-10-1-2-19(26)12-16/h3-8,13-14,16,19H,1-2,9-12H2,(H,25,27)
InChIKeyUNJAMFHCYBNUKK-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.17
Rot. Bonds3

About N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide

N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide (PubChem CID 54362316) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide
PubChem CID54362316
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-17-5-3-15(4-6-17)23(27)25-18-7-8-22-20(13-18)21(14-28-22)16-9-11-26-10-1-2-19(26)12-16/h3-8,13-14,16,19H,1-2,9-12H2,(H,25,27)
InChIKeyUNJAMFHCYBNUKK-UHFFFAOYSA-N
XLogP5.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
CID 15389763
2-[5-(2-methoxyphenyl)sulfanyl-1-benzofuran-3-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methylpropanoic acid
CID 67570719
N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzofuran-5-yl]furan-3-carboxamide
CID 67675628
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-3-nitrobenzamide
CID 19064680
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-[4-[(8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methoxyphenyl]-4-fluorobenzamide
CID 142925292

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide (CID 54362316) is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide is O=C(Nc1ccc2occ(C3CCN4CCCC4C3)c2c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide?
The InChIKey is UNJAMFHCYBNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-17-5-3-15(4-6-17)23(27)25-18-7-8-22-20(13-18)21(14-28-22)16-9-11-26-10-1-2-19(26)12-16/h3-8,13-14,16,19H,1-2,9-12H2,(H,25,27).
What are the key properties of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide?
N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide has a molecular weight of 378.45 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 54362316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).