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

C15H19IN2O — CID 112728999

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
SMILESO=C(NC1CCN2CCCC2C1)c1ccccc1I
InChIInChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)17-11-7-9-18-8-3-4-12(18)10-11/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19)
InChIKeyMCWCFZLFJLZLEO-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.65
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide (PubChem CID 112728999) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
PubChem CID112728999
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
SMILESO=C(NC1CCN2CCCC2C1)c1ccccc1I
InChIInChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)17-11-7-9-18-8-3-4-12(18)10-11/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19)
InChIKeyMCWCFZLFJLZLEO-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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)thiophene-2-carboxamide
CID 113223630
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-bromo-5-fluorobenzamide
CID 112729017
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
(E)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(2-chlorophenyl)but-2-enamide
CID 132969474
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-difluorobenzamide
CID 107121293
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388522

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide (CID 112728999) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide is O=C(NC1CCN2CCCC2C1)c1ccccc1I.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide?
The InChIKey is MCWCFZLFJLZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)17-11-7-9-18-8-3-4-12(18)10-11/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,19).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide has a molecular weight of 370.23 g/mol, XLogP of 2.65, 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)-2-iodobenzamide is sourced from PubChem (CID 112728999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).