CID 153280811

C11H7BBrClN3O3 — CID 153280811

IUPAC—
SMILESO=C[B]Nc1nc(C(=O)Nc2cc(Br)ccc2Cl)co1
InChIInChI=1S/C11H7BBrClN3O3/c13-6-1-2-7(14)8(3-6)15-10(19)9-4-20-11(16-9)17-12-5-18/h1-5H,(H,15,19)(H,16,17)
InChIKeyFDRQZDJQTMUQQY-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.56
Rot. Bonds5

About CID 153280811

CID 153280811 (PubChem CID 153280811) has the molecular formula C11H7BBrClN3O3 and a molecular weight of 355.36 g/mol.

Molecular Properties

Compound NameCID 153280811
PubChem CID153280811
Molecular FormulaC11H7BBrClN3O3
Molecular Weight355.36 g/mol
Exact Mass353.95
IUPAC Name—
SMILESO=C[B]Nc1nc(C(=O)Nc2cc(Br)ccc2Cl)co1
InChIInChI=1S/C11H7BBrClN3O3/c13-6-1-2-7(14)8(3-6)15-10(19)9-4-20-11(16-9)17-12-5-18/h1-5H,(H,15,19)(H,16,17)
InChIKeyFDRQZDJQTMUQQY-UHFFFAOYSA-N
XLogP2.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 153280818
CID 153280818
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N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of CID 153280811?
The IUPAC name of CID 153280811 (CID 153280811) is not available.
What is the SMILES notation for CID 153280811?
The canonical SMILES for CID 153280811 is O=C[B]Nc1nc(C(=O)Nc2cc(Br)ccc2Cl)co1.
What is the InChIKey of CID 153280811?
The InChIKey is FDRQZDJQTMUQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BBrClN3O3/c13-6-1-2-7(14)8(3-6)15-10(19)9-4-20-11(16-9)17-12-5-18/h1-5H,(H,15,19)(H,16,17).
What are the key properties of CID 153280811?
CID 153280811 has a molecular weight of 355.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153280811 is sourced from PubChem (CID 153280811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).