N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide

C13H9BrCl2N2O — CID 114050552

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-3-8(4-11(7)15)13(19)18-9-5-10(14)12(16)17-6-9/h2-6H,1H3,(H,18,19)
InChIKeyXBRRACRQVJIBPY-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.71
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide (PubChem CID 114050552) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
PubChem CID114050552
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-3-8(4-11(7)15)13(19)18-9-5-10(14)12(16)17-6-9/h2-6H,1H3,(H,18,19)
InChIKeyXBRRACRQVJIBPY-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

N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide (CID 114050552) is N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide?
The InChIKey is XBRRACRQVJIBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c1-7-2-3-8(4-11(7)15)13(19)18-9-5-10(14)12(16)17-6-9/h2-6H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide 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 N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 114050552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).