3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione

C18H16Cl2N2O2 — CID 43844459

IUPAC3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(Nc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-10-3-4-11(2)16(7-10)22-17(23)9-15(18(22)24)21-14-6-5-12(19)8-13(14)20/h3-8,15,21H,9H2,1-2H3
InChIKeyPEHVCOAXAFCHKT-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.35
Rot. Bonds3

About 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione

3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 43844459) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID43844459
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(N2C(=O)CC(Nc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C18H16Cl2N2O2/c1-10-3-4-11(2)16(7-10)22-17(23)9-15(18(22)24)21-14-6-5-12(19)8-13(14)20/h3-8,15,21H,9H2,1-2H3
InChIKeyPEHVCOAXAFCHKT-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.35
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

3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
3-[3-(2-chloroanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 43844287
(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 51859976
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 1332766
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
3-[3-(2-hydroxy-5-methylanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 43860739
3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione
CID 43637520
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684
3-(4-chloro-2-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 43411403

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione (CID 43844459) is 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(C)c(N2C(=O)CC(Nc3ccc(Cl)cc3Cl)C2=O)c1.
What is the InChIKey of 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PEHVCOAXAFCHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-10-3-4-11(2)16(7-10)22-17(23)9-15(18(22)24)21-14-6-5-12(19)8-13(14)20/h3-8,15,21H,9H2,1-2H3.
What are the key properties of 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione?
3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 363.24 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).