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

C17H13Cl2NO2 — CID 3522082

IUPAC3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO2/c18-14-7-6-13(10-15(14)19)20-16(21)9-12(17(20)22)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2
InChIKeySHODEKNQDYLGMS-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.12
Rot. Bonds3

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

3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 3522082) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID3522082
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO2/c18-14-7-6-13(10-15(14)19)20-16(21)9-12(17(20)22)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2
InChIKeySHODEKNQDYLGMS-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.12
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

(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
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 7453507
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 744203
3-[3-[(3R)-3-benzyl-2,5-dioxopyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 906515
3-[3-(3-benzyl-2,5-dioxopyrrolidin-1-yl)phenyl]prop-2-enoic acid
CID 3494837
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 3522082) is 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is SHODEKNQDYLGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c18-14-7-6-13(10-15(14)19)20-16(21)9-12(17(20)22)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2.
What are the key properties of 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 334.20 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3522082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).