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

C18H16ClNO2 — CID 562519

IUPAC1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16ClNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyYXTNDPFDGNIKOZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.46
Rot. Bonds4

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

1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 562519) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID562519
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16ClNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyYXTNDPFDGNIKOZ-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.46
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

Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
N-(4-chlorobenzyl)-2-cyclohexylacetamide
CID 1121692
[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-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635
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
[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 66661845

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione (CID 562519) is 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is YXTNDPFDGNIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2.
What are the key properties of 1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione?
1-benzyl-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 313.78 g/mol, XLogP of 3.46, 4 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)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 562519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).