1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione

C17H14ClNO2 — CID 3047346

IUPAC1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-8-6-13(7-9-14)15-10-16(20)19(17(15)21)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyDALUVQZUHBXCPS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.38
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione

1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 3047346) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID3047346
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-8-6-13(7-9-14)15-10-16(20)19(17(15)21)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyDALUVQZUHBXCPS-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.38
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

3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635
3-(2-Chlorophenyl)-4-(4-chlorophenyl)pyrrolidin-2-one
CID 21539375
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
4-p-Chlorophenyl-3-phenyl-2-pyrrolidinone
CID 54345800

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 3047346) is 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is DALUVQZUHBXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-14-8-6-13(7-9-14)15-10-16(20)19(17(15)21)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione?
1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 299.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3047346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).