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

C15H19ClN2O2 — CID 106501584

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
SMILESO=C(NC1CCN2CCCCC12)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-4-10(19)9-11(12)15(20)17-13-6-8-18-7-2-1-3-14(13)18/h4-5,9,13-14,19H,1-3,6-8H2,(H,17,20)
InChIKeyNFYSJWTZDJQNDI-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.40
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide (PubChem CID 106501584) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
PubChem CID106501584
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
SMILESO=C(NC1CCN2CCCCC12)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c16-12-5-4-10(19)9-11(12)15(20)17-13-6-8-18-7-2-1-3-14(13)18/h4-5,9,13-14,19H,1-3,6-8H2,(H,17,20)
InChIKeyNFYSJWTZDJQNDI-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide (CID 106501584) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide is O=C(NC1CCN2CCCCC12)c1cc(O)ccc1Cl.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide?
The InChIKey is NFYSJWTZDJQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-5-4-10(19)9-11(12)15(20)17-13-6-8-18-7-2-1-3-14(13)18/h4-5,9,13-14,19H,1-3,6-8H2,(H,17,20).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide has a molecular weight of 294.78 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106501584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).