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

C18H16ClNO2 — CID 2865277

IUPAC3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C18H16ClNO2/c1-12-2-8-16(9-3-12)20-17(21)11-14(18(20)22)10-13-4-6-15(19)7-5-13/h2-9,14H,10-11H2,1H3
InChIKeyWHLNIWNLLGHNBJ-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.77
Rot. Bonds3

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

3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2865277) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2865277
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C18H16ClNO2/c1-12-2-8-16(9-3-12)20-17(21)11-14(18(20)22)10-13-4-6-15(19)7-5-13/h2-9,14H,10-11H2,1H3
InChIKeyWHLNIWNLLGHNBJ-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.77
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-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2865277) is 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is WHLNIWNLLGHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-2-8-16(9-3-12)20-17(21)11-14(18(20)22)10-13-4-6-15(19)7-5-13/h2-9,14H,10-11H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 313.78 g/mol, XLogP of 3.77, 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-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2865277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).