4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione

C10H7BrCl2N2O2 — CID 107794209

IUPAC4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2ccc(Br)c(Cl)c2Cl)CC(=O)N1
InChIInChI=1S/C10H7BrCl2N2O2/c11-5-1-2-6(10(13)9(5)12)15-3-7(16)14-8(17)4-15/h1-2H,3-4H2,(H,14,16,17)
InChIKeyDOXKEZJFDVNRMJ-UHFFFAOYSA-N
MW337.99 g/mol
LogP2.22
Rot. Bonds1

About 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione

4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione (PubChem CID 107794209) has the molecular formula C10H7BrCl2N2O2 and a molecular weight of 337.99 g/mol. Its IUPAC name is 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione
PubChem CID107794209
Molecular FormulaC10H7BrCl2N2O2
Molecular Weight337.99 g/mol
Exact Mass335.91
IUPAC Name4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2ccc(Br)c(Cl)c2Cl)CC(=O)N1
InChIInChI=1S/C10H7BrCl2N2O2/c11-5-1-2-6(10(13)9(5)12)15-3-7(16)14-8(17)4-15/h1-2H,3-4H2,(H,14,16,17)
InChIKeyDOXKEZJFDVNRMJ-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.99
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione (CID 107794209) is 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione is O=C1CN(c2ccc(Br)c(Cl)c2Cl)CC(=O)N1.
What is the InChIKey of 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione?
The InChIKey is DOXKEZJFDVNRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O2/c11-5-1-2-6(10(13)9(5)12)15-3-7(16)14-8(17)4-15/h1-2H,3-4H2,(H,14,16,17).
What are the key properties of 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione?
4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione has a molecular weight of 337.99 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,3-dichlorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 107794209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).