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

C15H19BrN2O — CID 112728997

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
SMILESO=C(NC1CCN2CCCC2C1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-12-4-1-3-11(9-12)15(19)17-13-6-8-18-7-2-5-14(18)10-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19)
InChIKeyPIXDRJOSTIXYFR-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.81
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide (PubChem CID 112728997) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
PubChem CID112728997
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
SMILESO=C(NC1CCN2CCCC2C1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-12-4-1-3-11(9-12)15(19)17-13-6-8-18-7-2-5-14(18)10-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19)
InChIKeyPIXDRJOSTIXYFR-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65470115
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dihydroxybenzamide
CID 103890321
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
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CID 97314015
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluoro-3-sulfanylbenzamide
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CID 167891040
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3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-bromo-5-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide (CID 112728997) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide is O=C(NC1CCN2CCCC2C1)c1cccc(Br)c1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide?
The InChIKey is PIXDRJOSTIXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-4-1-3-11(9-12)15(19)17-13-6-8-18-7-2-5-14(18)10-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide has a molecular weight of 323.23 g/mol, XLogP of 2.81, 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-7-yl)-3-bromobenzamide is sourced from PubChem (CID 112728997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).