N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide

C14H13BrN2O — CID 43520367

IUPACN-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)n2)c(C)c1
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-11(10(2)8-9)14(18)17-13-5-3-4-12(15)16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyAXMDJSQNFIWWGJ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide

N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide (PubChem CID 43520367) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
PubChem CID43520367
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)n2)c(C)c1
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-11(10(2)8-9)14(18)17-13-5-3-4-12(15)16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyAXMDJSQNFIWWGJ-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
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

4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
1-(6-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 168974031
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide (CID 43520367) is N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cccc(Br)n2)c(C)c1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide?
The InChIKey is AXMDJSQNFIWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-6-7-11(10(2)8-9)14(18)17-13-5-3-4-12(15)16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide?
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 43520367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).