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

C17H12Cl2N2O3 — CID 1185251

IUPAC3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-11-6-4-5-10(9-11)20-15-14(19)16(22)21(17(15)23)13-8-3-2-7-12(13)18/h2-9,20H,1H3
InChIKeyAZYUWQZGTBDVPR-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.78
Rot. Bonds4

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

3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione (PubChem CID 1185251) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
PubChem CID1185251
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-11-6-4-5-10(9-11)20-15-14(19)16(22)21(17(15)23)13-8-3-2-7-12(13)18/h2-9,20H,1H3
InChIKeyAZYUWQZGTBDVPR-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione (CID 1185251) is 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione is COc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
The InChIKey is AZYUWQZGTBDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-11-6-4-5-10(9-11)20-15-14(19)16(22)21(17(15)23)13-8-3-2-7-12(13)18/h2-9,20H,1H3.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione?
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione has a molecular weight of 363.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1185251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).