3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione

C10H5BrCl2FNO2 — CID 107581138

IUPAC3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Cl)c(F)c(Cl)c2)C1Br
InChIInChI=1S/C10H5BrCl2FNO2/c11-7-6(9(16)15-10(7)17)3-1-4(12)8(14)5(13)2-3/h1-2,6-7H,(H,15,16,17)
InChIKeyPKSMZJTUWZRSIG-UHFFFAOYSA-N
MW340.96 g/mol
LogP2.64
Rot. Bonds1

About 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione

3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 107581138) has the molecular formula C10H5BrCl2FNO2 and a molecular weight of 340.96 g/mol. Its IUPAC name is 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID107581138
Molecular FormulaC10H5BrCl2FNO2
Molecular Weight340.96 g/mol
Exact Mass338.89
IUPAC Name3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Cl)c(F)c(Cl)c2)C1Br
InChIInChI=1S/C10H5BrCl2FNO2/c11-7-6(9(16)15-10(7)17)3-1-4(12)8(14)5(13)2-3/h1-2,6-7H,(H,15,16,17)
InChIKeyPKSMZJTUWZRSIG-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.96
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695344
3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione
CID 106695224
3-(1-benzothiophen-5-yl)-4-bromopyrrolidine-2,5-dione
CID 106695322
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
3-bromo-4-(4-chloro-2-nitrophenyl)pyrrolidine-2,5-dione
CID 106695218
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
4-(3,5-dichloro-4-fluorophenyl)piperidine
CID 117372762
2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 150564885
3-[3-bromo-5-(trifluoromethyl)phenyl]-4-chloropyrrolidine-2,5-dione
CID 106695089
3-bromo-4-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 106695226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione (CID 107581138) is 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2cc(Cl)c(F)c(Cl)c2)C1Br.
What is the InChIKey of 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is PKSMZJTUWZRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FNO2/c11-7-6(9(16)15-10(7)17)3-1-4(12)8(14)5(13)2-3/h1-2,6-7H,(H,15,16,17).
What are the key properties of 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione?
3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 340.96 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 107581138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).