3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione

C10H6BrCl2NO2 — CID 106695184

IUPAC3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2Br)C1Cl
InChIInChI=1S/C10H6BrCl2NO2/c11-7-4(2-1-3-5(7)12)6-8(13)10(16)14-9(6)15/h1-3,6,8H,(H,14,15,16)
InChIKeyLYHYMGWRSZFPGK-UHFFFAOYSA-N
MW322.97 g/mol
LogP2.45
Rot. Bonds1

About 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione

3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione (PubChem CID 106695184) has the molecular formula C10H6BrCl2NO2 and a molecular weight of 322.97 g/mol. Its IUPAC name is 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
PubChem CID106695184
Molecular FormulaC10H6BrCl2NO2
Molecular Weight322.97 g/mol
Exact Mass320.90
IUPAC Name3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2Br)C1Cl
InChIInChI=1S/C10H6BrCl2NO2/c11-7-4(2-1-3-5(7)12)6-8(13)10(16)14-9(6)15/h1-3,6,8H,(H,14,15,16)
InChIKeyLYHYMGWRSZFPGK-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.97
LogP ≤ 52.45
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-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 106694974
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-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
2-bromo-1,3-dichlorobenzene;formaldehyde
CID 174574164
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
3-butylsulfanyl-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 22165176
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione?
The IUPAC name of 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione (CID 106695184) is 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione is O=C1NC(=O)C(c2cccc(Cl)c2Br)C1Cl.
What is the InChIKey of 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione?
The InChIKey is LYHYMGWRSZFPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NO2/c11-7-4(2-1-3-5(7)12)6-8(13)10(16)14-9(6)15/h1-3,6,8H,(H,14,15,16).
What are the key properties of 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione?
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione has a molecular weight of 322.97 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione is sourced from PubChem (CID 106695184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).