1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione

C16H12ClNO2 — CID 121238704

IUPAC1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12ClNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeyXRCUSZAJAUPOQL-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione

1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 121238704) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID121238704
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12ClNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeyXRCUSZAJAUPOQL-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diclofenac lactam
CID 27211
Phthalimide, N-(p-chlorophenyl)-
CID 81867
3-Chloro-4-(2,5-dioxo-3-phenyl-1-pyrrolidinyl)benzenesulfonamide
CID 72094
N-(3-Chlorophenyl)-phthalimide
CID 504333
2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropanecarboxamide
CID 2832305
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
2-(2,4-dichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 3120450
1-(4-Tert-butylphenyl)-3-phenylpyrrolidine-2,5-dione
CID 2825989
Succinimide, 2-benzyl-N-phenyl-
CID 622117
2-(3-chlorophenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CID 561782
2,2-dichloro-N-(2-chlorophenyl)-1-phenylcyclopropanecarboxamide
CID 2832400
3-(3-Methylbenzyl)-1-phenyl-2,5-pyrrolidinedione
CID 2865632

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione (CID 121238704) is 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is XRCUSZAJAUPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2.
What are the key properties of 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione?
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 285.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 121238704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).