2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide

C13H9BrCl2N2O — CID 103745291

IUPAC2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)cnc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-4-9(6-17-12(7)16)18-13(19)10-5-8(15)2-3-11(10)14/h2-6H,1H3,(H,18,19)
InChIKeyVMDOXIPLRUCBNG-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.71
Rot. Bonds2

About 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide

2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide (PubChem CID 103745291) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
PubChem CID103745291
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)cnc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-4-9(6-17-12(7)16)18-13(19)10-5-8(15)2-3-11(10)14/h2-6H,1H3,(H,18,19)
InChIKeyVMDOXIPLRUCBNG-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.71
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

5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
CID 103745322
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide (CID 103745291) is 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2Br)cnc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide?
The InChIKey is VMDOXIPLRUCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c1-7-4-9(6-17-12(7)16)18-13(19)10-5-8(15)2-3-11(10)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide?
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide has a molecular weight of 360.04 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103745291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).