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

C15H19FN2O — CID 47036307

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
SMILESO=C(NC1CCN2CCCCC12)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c16-12-5-3-4-11(10-12)15(19)17-13-7-9-18-8-2-1-6-14(13)18/h3-5,10,13-14H,1-2,6-9H2,(H,17,19)
InChIKeyVFKCAHAGOCCBCW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.18
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide (PubChem CID 47036307) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
PubChem CID47036307
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
SMILESO=C(NC1CCN2CCCCC12)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c16-12-5-3-4-11(10-12)15(19)17-13-7-9-18-8-2-1-6-14(13)18/h3-5,10,13-14H,1-2,6-9H2,(H,17,19)
InChIKeyVFKCAHAGOCCBCW-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluoro-3-sulfanylbenzamide
CID 107025814
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,6-dichloropyridine-4-carboxamide
CID 61041996
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 43696372
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51948560
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide (CID 47036307) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide is O=C(NC1CCN2CCCCC12)c1cccc(F)c1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide?
The InChIKey is VFKCAHAGOCCBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-5-3-4-11(10-12)15(19)17-13-7-9-18-8-2-1-6-14(13)18/h3-5,10,13-14H,1-2,6-9H2,(H,17,19).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 47036307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).