1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

C21H19ClN2O2 — CID 110558963

IUPAC1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCC2)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O2/c22-17-11-5-4-10-16(17)14-24-20(25)18(15-8-2-1-3-9-15)19(21(24)26)23-12-6-7-13-23/h1-5,8-11H,6-7,12-14H2
InChIKeyLBSQKMXPPJOYEK-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.72
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110558963) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110558963
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCC2)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O2/c22-17-11-5-4-10-16(17)14-24-20(25)18(15-8-2-1-3-9-15)19(21(24)26)23-12-6-7-13-23/h1-5,8-11H,6-7,12-14H2
InChIKeyLBSQKMXPPJOYEK-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555914
1-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546265
1-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110546261
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548492
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110548489
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559262
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546264
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540995
3-phenyl-4-(4-phenylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110559226

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110558963) is 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCCC2)C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is LBSQKMXPPJOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-11-5-4-10-16(17)14-24-20(25)18(15-8-2-1-3-9-15)19(21(24)26)23-12-6-7-13-23/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 366.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110558963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).