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

C10H6Cl3NO2 — CID 106694890

IUPAC3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Cl)cc(Cl)c2)C1Cl
InChIInChI=1S/C10H6Cl3NO2/c11-5-1-4(2-6(12)3-5)7-8(13)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyQPSYUBXVVJDSIJ-UHFFFAOYSA-N
MW278.52 g/mol
LogP2.34
Rot. Bonds1

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

3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 106694890) has the molecular formula C10H6Cl3NO2 and a molecular weight of 278.52 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID106694890
Molecular FormulaC10H6Cl3NO2
Molecular Weight278.52 g/mol
Exact Mass276.95
IUPAC Name3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Cl)cc(Cl)c2)C1Cl
InChIInChI=1S/C10H6Cl3NO2/c11-5-1-4(2-6(12)3-5)7-8(13)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyQPSYUBXVVJDSIJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.52
LogP ≤ 52.34
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

(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059
3-[3-bromo-5-(trifluoromethyl)phenyl]-4-chloropyrrolidine-2,5-dione
CID 106695089
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 106694974
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695138
3-chloro-4-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106694973
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (CID 106694890) is 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2cc(Cl)cc(Cl)c2)C1Cl.
What is the InChIKey of 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is QPSYUBXVVJDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO2/c11-5-1-4(2-6(12)3-5)7-8(13)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16).
What are the key properties of 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 278.52 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106694890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).