4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide

C12H7Br2ClN2O — CID 43805504

IUPAC4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2ClN2O/c13-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18)
InChIKeyCLMXQJNMQAGWEK-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.51
Rot. Bonds2

About 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide

4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide (PubChem CID 43805504) has the molecular formula C12H7Br2ClN2O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
PubChem CID43805504
Molecular FormulaC12H7Br2ClN2O
Molecular Weight390.46 g/mol
Exact Mass387.86
IUPAC Name4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2ClN2O/c13-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18)
InChIKeyCLMXQJNMQAGWEK-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide (CID 43805504) is 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide is O=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide?
The InChIKey is CLMXQJNMQAGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClN2O/c13-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(14)16-11/h1-6H,(H,16,17,18).
What are the key properties of 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide?
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide has a molecular weight of 390.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide is sourced from PubChem (CID 43805504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).