1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

C17H14Cl2N2O3 — CID 3928283

IUPAC1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-10(7-12)20-15-9-16(22)21(17(15)23)11-5-6-13(18)14(19)8-11/h2-8,15,20H,9H2,1H3
InChIKeyGIXDTANKSWFJQI-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.75
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione

1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 3928283) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID3928283
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-10(7-12)20-15-9-16(22)21(17(15)23)11-5-6-13(18)14(19)8-11/h2-8,15,20H,9H2,1H3
InChIKeyGIXDTANKSWFJQI-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione (CID 3928283) is 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is COc1cccc(NC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is GIXDTANKSWFJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-10(7-12)20-15-9-16(22)21(17(15)23)11-5-6-13(18)14(19)8-11/h2-8,15,20H,9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 365.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3928283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).