1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione

C17H14Cl2N2O2 — CID 43844870

IUPAC1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-10-4-2-5-11(8-10)20-13-9-15(22)21(17(13)23)14-7-3-6-12(18)16(14)19/h2-8,13,20H,9H2,1H3
InChIKeyLBFBXXOKNBPIOF-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.05
Rot. Bonds3

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

1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione (PubChem CID 43844870) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
PubChem CID43844870
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(NC2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-10-4-2-5-11(8-10)20-13-9-15(22)21(17(13)23)14-7-3-6-12(18)16(14)19/h2-8,13,20H,9H2,1H3
InChIKeyLBFBXXOKNBPIOF-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
(3R)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714
(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 51859976

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione (CID 43844870) is 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione is Cc1cccc(NC2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is LBFBXXOKNBPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-10-4-2-5-11(8-10)20-13-9-15(22)21(17(13)23)14-7-3-6-12(18)16(14)19/h2-8,13,20H,9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 349.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).