3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione

C18H14Cl2N2O2 — CID 1185248

IUPAC3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(C)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-7-8-13(11(2)9-10)21-16-15(20)17(23)22(18(16)24)14-6-4-3-5-12(14)19/h3-9,21H,1-2H3
InChIKeyZDNMNKPORHQPRQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.39
Rot. Bonds3

About 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione

3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione (PubChem CID 1185248) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
PubChem CID1185248
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(C)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-7-8-13(11(2)9-10)21-16-15(20)17(23)22(18(16)24)14-6-4-3-5-12(14)19/h3-9,21H,1-2H3
InChIKeyZDNMNKPORHQPRQ-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.39
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-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185285
3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione
CID 1185254
1-benzyl-3-chloro-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 720409
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
CID 1187268
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 720385
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182462
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
3-chloro-4-(3,5-dimethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 2791786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione (CID 1185248) is 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione is Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The InChIKey is ZDNMNKPORHQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-7-8-13(11(2)9-10)21-16-15(20)17(23)22(18(16)24)14-6-4-3-5-12(14)19/h3-9,21H,1-2H3.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione has a molecular weight of 361.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1185248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).