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

C21H21ClN2O3 — CID 53177165

IUPAC1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(CC(=O)N2CCC3(C2)C(=O)N(C)c2ccccc23)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-23-17-6-4-3-5-15(17)21(20(23)26)9-10-24(13-21)19(25)12-14-7-8-18(27-2)16(22)11-14/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyFVKGSBLHOOIUCF-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.04
Rot. Bonds3

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

1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177165) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177165
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(CC(=O)N2CCC3(C2)C(=O)N(C)c2ccccc23)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-23-17-6-4-3-5-15(17)21(20(23)26)9-10-24(13-21)19(25)12-14-7-8-18(27-2)16(22)11-14/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyFVKGSBLHOOIUCF-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177165) is 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc(CC(=O)N2CCC3(C2)C(=O)N(C)c2ccccc23)cc1Cl.
What is the InChIKey of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FVKGSBLHOOIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-23-17-6-4-3-5-15(17)21(20(23)26)9-10-24(13-21)19(25)12-14-7-8-18(27-2)16(22)11-14/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 384.86 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).