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

C17H12Cl2N2O2 — CID 720525

IUPAC3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1
InChIInChI=1S/C17H12Cl2N2O2/c1-20(12-7-3-2-4-8-12)15-14(19)16(22)21(17(15)23)13-9-5-6-11(18)10-13/h2-10H,1H3
InChIKeyBUBIXMYJOJNDIY-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.80
Rot. Bonds3

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

3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 720525) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID720525
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1
InChIInChI=1S/C17H12Cl2N2O2/c1-20(12-7-3-2-4-8-12)15-14(19)16(22)21(17(15)23)13-9-5-6-11(18)10-13/h2-10H,1H3
InChIKeyBUBIXMYJOJNDIY-UHFFFAOYSA-N
XLogP3.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 720525) is 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is CN(C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1.
What is the InChIKey of 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is BUBIXMYJOJNDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-20(12-7-3-2-4-8-12)15-14(19)16(22)21(17(15)23)13-9-5-6-11(18)10-13/h2-10H,1H3.
What are the key properties of 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 347.20 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 720525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).