3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione

C17H14ClNO2 — CID 110457872

IUPAC3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cccc(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-6-4-5-12(10-14)9-13-11-16(20)19(17(13)21)15-7-2-1-3-8-15/h1-8,10,13H,9,11H2
InChIKeyWGIXTEQWMOBCHQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.46
Rot. Bonds3

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

3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 110457872) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID110457872
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cccc(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14ClNO2/c18-14-6-4-5-12(10-14)9-13-11-16(20)19(17(13)21)15-7-2-1-3-8-15/h1-8,10,13H,9,11H2
InChIKeyWGIXTEQWMOBCHQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
1-(3-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 110457904
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 110457916
2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
CID 110457877
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 932254
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione (CID 110457872) is 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(Cc2cccc(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is WGIXTEQWMOBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-14-6-4-5-12(10-14)9-13-11-16(20)19(17(13)21)15-7-2-1-3-8-15/h1-8,10,13H,9,11H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 299.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 110457872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).