N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

C22H22ClN3O2 — CID 22553750

IUPACN-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)Nc1ccccc1Cl)CC1CCCN12
InChIInChI=1S/C22H22ClN3O2/c1-25-19-11-5-2-8-15(19)22(21(25)28)16(13-14-7-6-12-26(14)22)20(27)24-18-10-4-3-9-17(18)23/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,24,27)
InChIKeyAAUFOEWASNSSCQ-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.63
Rot. Bonds2

About N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 22553750) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID22553750
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)Nc1ccccc1Cl)CC1CCCN12
InChIInChI=1S/C22H22ClN3O2/c1-25-19-11-5-2-8-15(19)22(21(25)28)16(13-14-7-6-12-26(14)22)20(27)24-18-10-4-3-9-17(18)23/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,24,27)
InChIKeyAAUFOEWASNSSCQ-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 22553750) is N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is CN1C(=O)C2(c3ccccc31)C(C(=O)Nc1ccccc1Cl)CC1CCCN12.
What is the InChIKey of N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is AAUFOEWASNSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-25-19-11-5-2-8-15(19)22(21(25)28)16(13-14-7-6-12-26(14)22)20(27)24-18-10-4-3-9-17(18)23/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 22553750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).