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

C21H21ClN2O3 — CID 53177166

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

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

1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177166) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177166
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(CC(=O)N2CCC3(C2)C(=O)N(C)c2ccccc23)c(Cl)c1
InChIInChI=1S/C21H21ClN2O3/c1-23-18-6-4-3-5-16(18)21(20(23)26)9-10-24(13-21)19(25)11-14-7-8-15(27-2)12-17(14)22/h3-8,12H,9-11,13H2,1-2H3
InChIKeyHTUJSVQDQXAORS-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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Related Compounds

4-{5-Chloro-1''-[(4-methoxyphenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione}butanoic acid
CID 15949201
2-{5-Chloro-1''-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione}acetic acid
CID 15949851
(3Z)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 10480621
(3E)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 44274055
N-(3-chlorophenyl)-2-((3R,4S)-4-(4-methoxyphenyl)-1-(3-(2-oxopyrrolidin-1-yl)propyl)pyrrolidin-3-yl)acetamide
CID 52918017
1'-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 145965840
1-(2,3-Dihydro-indol-1-yl)-2-(4-methoxy-phenyl)-ethanone
CID 669075
1-((p-Chloro-2-methoxybenzyl)methylamino)-3-(2-(diethylamino)ethyl)-3-phenyl-2-indolinone
CID 38640
1'-[2-(4-Ethoxyphenyl)acetyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
CID 91904585
1-[3-(4-Chlorophenoxy)propyl]-1'-ethyl-5-methylspiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
CID 172436822
1'-[(4-Methoxyphenyl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134789856
1'-(4-Methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134792109

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177166) is 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc(CC(=O)N2CCC3(C2)C(=O)N(C)c2ccccc23)c(Cl)c1.
What is the InChIKey of 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HTUJSVQDQXAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-23-18-6-4-3-5-16(18)21(20(23)26)9-10-24(13-21)19(25)11-14-7-8-15(27-2)12-17(14)22/h3-8,12H,9-11,13H2,1-2H3.
What are the key properties of 1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[2-(2-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-(2-chloro-4-methoxyphenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).