3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

C17H11Cl2NO2 — CID 71373124

IUPAC3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H11Cl2NO2/c18-13-8-14(19)10-15(9-13)20-16(21)7-12(17(20)22)6-11-4-2-1-3-5-11/h1-6,8-10H,7H2
InChIKeyIQWMHJAEKRDZGN-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.34
Rot. Bonds2

About 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 71373124) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID71373124
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H11Cl2NO2/c18-13-8-14(19)10-15(9-13)20-16(21)7-12(17(20)22)6-11-4-2-1-3-5-11/h1-6,8-10H,7H2
InChIKeyIQWMHJAEKRDZGN-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (CID 71373124) is 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CC(=Cc2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is IQWMHJAEKRDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-13-8-14(19)10-15(9-13)20-16(21)7-12(17(20)22)6-11-4-2-1-3-5-11/h1-6,8-10H,7H2.
What are the key properties of 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 332.19 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71373124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).