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

C16H16Cl2N2O2 — CID 728024

IUPAC3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c17-10-6-8-12(9-7-10)20-15(21)13(18)14(16(20)22)19-11-4-2-1-3-5-11/h6-9,11,19H,1-5H2
InChIKeyBFBDGRRBIGEKJN-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.59
Rot. Bonds3

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

3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione (PubChem CID 728024) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione
PubChem CID728024
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c17-10-6-8-12(9-7-10)20-15(21)13(18)14(16(20)22)19-11-4-2-1-3-5-11/h6-9,11,19H,1-5H2
InChIKeyBFBDGRRBIGEKJN-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione (CID 728024) is 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione is O=C1C(Cl)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione?
The InChIKey is BFBDGRRBIGEKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-10-6-8-12(9-7-10)20-15(21)13(18)14(16(20)22)19-11-4-2-1-3-5-11/h6-9,11,19H,1-5H2.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione has a molecular weight of 339.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)pyrrole-2,5-dione is sourced from PubChem (CID 728024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).