3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

C19H18Cl2N2O4 — CID 2929401

IUPAC3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(NCc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-14-6-13(7-15(8-14)27-2)23-18(24)9-17(19(23)25)22-10-11-3-4-12(20)5-16(11)21/h3-8,17,22H,9-10H2,1-2H3
InChIKeyBJPXHTAYLPKOTP-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.43
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2929401) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2929401
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(NCc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-14-6-13(7-15(8-14)27-2)23-18(24)9-17(19(23)25)22-10-11-3-4-12(20)5-16(11)21/h3-8,17,22H,9-10H2,1-2H3
InChIKeyBJPXHTAYLPKOTP-UHFFFAOYSA-N
XLogP3.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-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

(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
1-(4-chlorophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 2961815
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3R)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 40520421
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
methyl 4-[3-[(4-chlorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2937003
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
4-chloro-N-[2-[[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzamide
CID 2936381

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione (CID 2929401) is 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione is COc1cc(OC)cc(N2C(=O)CC(NCc3ccc(Cl)cc3Cl)C2=O)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is BJPXHTAYLPKOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-14-6-13(7-15(8-14)27-2)23-18(24)9-17(19(23)25)22-10-11-3-4-12(20)5-16(11)21/h3-8,17,22H,9-10H2,1-2H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 409.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).