3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione

C13H14Cl2N2O2 — CID 104726633

IUPAC3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cc(Cl)c(C)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-17-12(18)6-11(13(17)19)16-10-5-8(14)7(2)4-9(10)15/h4-5,11,16H,3,6H2,1-2H3
InChIKeyMNTZPPQZUKESJT-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.86
Rot. Bonds3

About 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione

3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 104726633) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione
PubChem CID104726633
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cc(Cl)c(C)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-17-12(18)6-11(13(17)19)16-10-5-8(14)7(2)4-9(10)15/h4-5,11,16H,3,6H2,1-2H3
InChIKeyMNTZPPQZUKESJT-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.86
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-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
3-(4-chloro-2-fluoroanilino)-1-ethylpyrrolidine-2,5-dione
CID 60706396
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
CID 43636618
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
3-(4-bromo-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411448
3-(5-bromo-2-chloroanilino)-1-propylpyrrolidine-2,5-dione
CID 62914482
3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 82819042
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
CID 43411357
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione (CID 104726633) is 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2cc(Cl)c(C)cc2Cl)C1=O.
What is the InChIKey of 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is MNTZPPQZUKESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-17-12(18)6-11(13(17)19)16-10-5-8(14)7(2)4-9(10)15/h4-5,11,16H,3,6H2,1-2H3.
What are the key properties of 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione?
3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 301.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-methylanilino)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 104726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).