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

C17H14ClNO2 — CID 53474672

IUPAC(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)15-10-16(20)19(17(15)21)11-12-5-2-1-3-6-12/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyAJPNUQIVSHSUIT-OAHLLOKOSA-N
MW299.76 g/mol
LogP3.38
Rot. Bonds3

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

(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 53474672) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID53474672
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)15-10-16(20)19(17(15)21)11-12-5-2-1-3-6-12/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyAJPNUQIVSHSUIT-OAHLLOKOSA-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'}

Analyze (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-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

(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 98176099
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60976711
(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
CID 101349866
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572
ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049343
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854673

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 53474672) is (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](c2cccc(Cl)c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is AJPNUQIVSHSUIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)15-10-16(20)19(17(15)21)11-12-5-2-1-3-6-12/h1-9,15H,10-11H2/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-(3-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 (3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 53474672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).