7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

C20H19Cl2N3O3 — CID 73399441

IUPAC7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC(C)NC12C(=O)Nc1c(Cl)cccc12
InChIInChI=1S/C20H19Cl2N3O3/c1-10-8-13(18(26)23-15-9-11(21)6-7-16(15)28-2)20(25-10)12-4-3-5-14(22)17(12)24-19(20)27/h3-7,9-10,13,25H,8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTXDPUOBNDFYVIE-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.79
Rot. Bonds3

About 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (PubChem CID 73399441) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
PubChem CID73399441
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC(C)NC12C(=O)Nc1c(Cl)cccc12
InChIInChI=1S/C20H19Cl2N3O3/c1-10-8-13(18(26)23-15-9-11(21)6-7-16(15)28-2)20(25-10)12-4-3-5-14(22)17(12)24-19(20)27/h3-7,9-10,13,25H,8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTXDPUOBNDFYVIE-UHFFFAOYSA-N
XLogP3.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5'-(2-amino-2-oxoethyl)-7-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400714
(3R,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-[(1R)-1-hydroxyethyl]-7-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 51705591
(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-[(1S)-1-hydroxyethyl]-7-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 124826949
(3R,3'S,5'R)-7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-[(1S)-1-hydroxyethyl]-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40944766
5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400489
(3R,3'R,5'R)-5-chloro-N-(5-chloro-2-methoxyphenyl)-5'-[(1S)-1-hydroxyethyl]-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 124870361
(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913371
(3R,3'S,5'S)-5'-(2-amino-2-oxoethyl)-5-bromo-N-(5-chloro-2-methoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40914019
(3R,3'S,5'R)-5-bromo-N-(5-chloro-2-methoxyphenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 162945187
(3S,3'S,5'R)-5'-(2-amino-2-oxoethyl)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26885161
(3S,3'S,5'S)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40920351
5-chloro-N-(2,5-dimethoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400198

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The IUPAC name of 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (CID 73399441) is 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CC(C)NC12C(=O)Nc1c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The InChIKey is TXDPUOBNDFYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-10-8-13(18(26)23-15-9-11(21)6-7-16(15)28-2)20(25-10)12-4-3-5-14(22)17(12)24-19(20)27/h3-7,9-10,13,25H,8H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-chloro-2-methoxyphenyl)-5'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 73399441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).