N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide

C23H22FN3O — CID 15389763

IUPACN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-17-5-3-15(4-6-17)23(28)26-18-7-8-22-20(13-18)21(14-25-22)16-9-11-27-10-1-2-19(27)12-16/h3-9,13-14,19,25H,1-2,10-12H2,(H,26,28)
InChIKeySECMSHFHZIHVOS-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.81
Rot. Bonds3

About N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide (PubChem CID 15389763) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
PubChem CID15389763
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O/c24-17-5-3-15(4-6-17)23(28)26-18-7-8-22-20(13-18)21(14-25-22)16-9-11-27-10-1-2-19(27)12-16/h3-9,13-14,19,25H,1-2,10-12H2,(H,26,28)
InChIKeySECMSHFHZIHVOS-UHFFFAOYSA-N
XLogP4.81
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
CID 20585154
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
CID 54246048
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1,1-diphenylthiourea
CID 57305851
1-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-3-(2,4-diiodophenyl)thiourea
CID 54427163
N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
CID 67570935
1-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(4-bromo-3-chlorophenyl)urea
CID 67570700
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-benzofuran-5-yl]-4-fluorobenzamide
CID 54362316
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
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,1-dipropylurea
CID 67570374
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
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide (CID 15389763) is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide is O=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide?
The InChIKey is SECMSHFHZIHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-17-5-3-15(4-6-17)23(28)26-18-7-8-22-20(13-18)21(14-25-22)16-9-11-27-10-1-2-19(27)12-16/h3-9,13-14,19,25H,1-2,10-12H2,(H,26,28).
What are the key properties of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide?
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide has a molecular weight of 375.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 15389763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).