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

C14H12BrClN2O2 — CID 103745322

IUPAC4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C14H12BrClN2O2/c1-8-5-10(7-17-13(8)16)18-14(19)11-4-3-9(15)6-12(11)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyAHKMKNLCZLIXNL-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.07
Rot. Bonds3

About 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide

4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide (PubChem CID 103745322) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
PubChem CID103745322
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C14H12BrClN2O2/c1-8-5-10(7-17-13(8)16)18-14(19)11-4-3-9(15)6-12(11)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyAHKMKNLCZLIXNL-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
N-(6-chloro-5-methyl-3-pyridinyl)-2-hydroxy-4-methoxybenzamide
CID 103746246
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide (CID 103745322) is 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide?
The InChIKey is AHKMKNLCZLIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8-5-10(7-17-13(8)16)18-14(19)11-4-3-9(15)6-12(11)20-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide?
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide has a molecular weight of 355.62 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide is sourced from PubChem (CID 103745322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).