3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione

C18H15ClN2O2 — CID 710533

IUPAC3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)c1C
InChIInChI=1S/C18H15ClN2O2/c1-11-7-6-10-14(12(11)2)21-17(22)15(19)16(18(21)23)20-13-8-4-3-5-9-13/h3-10,20H,1-2H3
InChIKeyDVZAEMMNMMVQJA-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.74
Rot. Bonds3

About 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione

3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 710533) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
PubChem CID710533
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)c1C
InChIInChI=1S/C18H15ClN2O2/c1-11-7-6-10-14(12(11)2)21-17(22)15(19)16(18(21)23)20-13-8-4-3-5-9-13/h3-10,20H,1-2H3
InChIKeyDVZAEMMNMMVQJA-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (CID 710533) is 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)c1C.
What is the InChIKey of 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is DVZAEMMNMMVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-7-6-10-14(12(11)2)21-17(22)15(19)16(18(21)23)20-13-8-4-3-5-9-13/h3-10,20H,1-2H3.
What are the key properties of 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 326.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 710533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).