1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H19ClN2O3 — CID 53176952

IUPAC1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(CC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-26-17-7-6-13(10-15(17)21)11-18(24)23-9-8-20(12-23)14-4-2-3-5-16(14)22-19(20)25/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyQGXBRVTZUXJUAG-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.01
Rot. Bonds3

About 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53176952) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53176952
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(CC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c1-26-17-7-6-13(10-15(17)21)11-18(24)23-9-8-20(12-23)14-4-2-3-5-16(14)22-19(20)25/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyQGXBRVTZUXJUAG-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53176952) is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc(CC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1Cl.
What is the InChIKey of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QGXBRVTZUXJUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-26-17-7-6-13(10-15(17)21)11-18(24)23-9-8-20(12-23)14-4-2-3-5-16(14)22-19(20)25/h2-7,10H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53176952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).