2-bromo-4-chloro-N-pyridazin-3-ylbenzamide

C11H7BrClN3O — CID 103765308

IUPAC2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H7BrClN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17)
InChIKeyUREUNQKPJIGISM-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide

2-bromo-4-chloro-N-pyridazin-3-ylbenzamide (PubChem CID 103765308) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
PubChem CID103765308
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC Name2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H7BrClN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17)
InChIKeyUREUNQKPJIGISM-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
CID 113257211
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide (CID 103765308) is 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide?
The InChIKey is UREUNQKPJIGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-9-6-7(13)3-4-8(9)11(17)15-10-2-1-5-14-16-10/h1-6H,(H,15,16,17).
What are the key properties of 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide?
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide has a molecular weight of 312.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 103765308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).