1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione

C10H6Cl2N2O2 — CID 914425

IUPAC1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione
SMILESNc1c(Cl)cc(N2C(=O)C=CC2=O)cc1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4H,13H2
InChIKeyAUWJTBAFYTZISS-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.01
Rot. Bonds1

About 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione

1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 914425) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione
PubChem CID914425
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione
SMILESNc1c(Cl)cc(N2C(=O)C=CC2=O)cc1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4H,13H2
InChIKeyAUWJTBAFYTZISS-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione (CID 914425) is 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione is Nc1c(Cl)cc(N2C(=O)C=CC2=O)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is AUWJTBAFYTZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4H,13H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione?
1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 257.08 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 914425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).