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

C14H12BrClN2O — CID 114049068

IUPAC4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(Cl)c(C)c2)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-10(3-4-12(8)15)14(19)18-11-6-9(2)13(16)17-7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyAZQRWJGQRRGPQB-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

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

4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide (PubChem CID 114049068) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
PubChem CID114049068
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(Cl)c(C)c2)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-10(3-4-12(8)15)14(19)18-11-6-9(2)13(16)17-7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyAZQRWJGQRRGPQB-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.37
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-fluoro-3-methylbenzamide
CID 104624744
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide (CID 114049068) is 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cnc(Cl)c(C)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The InChIKey is AZQRWJGQRRGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-5-10(3-4-12(8)15)14(19)18-11-6-9(2)13(16)17-7-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.37, 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-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide is sourced from PubChem (CID 114049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).