2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C18H10Cl2N2O2 — CID 77227036

IUPAC2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2c([nH]c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)21-16-15(13)22-18(24)17(16)23/h1-8,21H,(H,22,23,24)
InChIKeyBNVRZOSRYDBNFB-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.79
Rot. Bonds2

About 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 77227036) has the molecular formula C18H10Cl2N2O2 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID77227036
Molecular FormulaC18H10Cl2N2O2
Molecular Weight357.20 g/mol
Exact Mass356.01
IUPAC Name2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=C1Nc2c([nH]c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)21-16-15(13)22-18(24)17(16)23/h1-8,21H,(H,22,23,24)
InChIKeyBNVRZOSRYDBNFB-UHFFFAOYSA-N
XLogP4.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 77227036) is 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is O=C1Nc2c([nH]c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is BNVRZOSRYDBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)21-16-15(13)22-18(24)17(16)23/h1-8,21H,(H,22,23,24).
What are the key properties of 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 357.20 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 77227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).