3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C17H13ClFNO2 — CID 2868769

IUPAC3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2
InChIKeyAIALJBGWBQPRBW-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.60
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2868769) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2868769
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2
InChIKeyAIALJBGWBQPRBW-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2868769) is 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is AIALJBGWBQPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c18-13-3-1-11(2-4-13)9-12-10-16(21)20(17(12)22)15-7-5-14(19)6-8-15/h1-8,12H,9-10H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 317.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2868769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).