4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione

C20H17ClN2O4 — CID 113082863

IUPAC4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)c4cccc(Cl)c4C3=O)C2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-27-14-7-5-12(6-8-14)18(24)22-10-9-13(11-22)23-19(25)15-3-2-4-16(21)17(15)20(23)26/h2-8,13H,9-11H2,1H3
InChIKeyQJVAWQVAEQOGFM-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione

4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione (PubChem CID 113082863) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione
PubChem CID113082863
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)c4cccc(Cl)c4C3=O)C2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-27-14-7-5-12(6-8-14)18(24)22-10-9-13(11-22)23-19(25)15-3-2-4-16(21)17(15)20(23)26/h2-8,13H,9-11H2,1H3
InChIKeyQJVAWQVAEQOGFM-UHFFFAOYSA-N
XLogP2.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[1-(3-methylbutanoyl)pyrrolidin-3-yl]isoindole-1,3-dione
CID 113082847
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
5-chloro-1'-(4-methoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077654
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione (CID 113082863) is 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione is COc1ccc(C(=O)N2CCC(N3C(=O)c4cccc(Cl)c4C3=O)C2)cc1.
What is the InChIKey of 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione?
The InChIKey is QJVAWQVAEQOGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-27-14-7-5-12(6-8-14)18(24)22-10-9-13(11-22)23-19(25)15-3-2-4-16(21)17(15)20(23)26/h2-8,13H,9-11H2,1H3.
What are the key properties of 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione?
4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione has a molecular weight of 384.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 113082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).