3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione

C10H7Cl2NO2 — CID 106694974

IUPAC3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)C1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-6-4-2-1-3-5(6)7-8(12)10(15)13-9(7)14/h1-4,7-8H,(H,13,14,15)
InChIKeyZJOLCFPMTXQQPG-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.69
Rot. Bonds1

About 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione

3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 106694974) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID106694974
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2Cl)C1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-6-4-2-1-3-5(6)7-8(12)10(15)13-9(7)14/h1-4,7-8H,(H,13,14,15)
InChIKeyZJOLCFPMTXQQPG-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
3-butylsulfanyl-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 22165176
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
4-(2-chlorophenyl)-6-methyl-1,3-dioxo-3a,4,5,8b-tetrahydropyrrolo[3,4-e]indole-7-carbaldehyde
CID 11624316
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82621815
3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one
CID 155814372
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione (CID 106694974) is 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2ccccc2Cl)C1Cl.
What is the InChIKey of 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is ZJOLCFPMTXQQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-6-4-2-1-3-5(6)7-8(12)10(15)13-9(7)14/h1-4,7-8H,(H,13,14,15).
What are the key properties of 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione?
3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 244.08 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106694974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).