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

C14H12BrClN2O — CID 107096916

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2C)ncc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-4-3-5-12(16)9(10)2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLOYZVZAQTOEDJW-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

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

N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide (PubChem CID 107096916) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
PubChem CID107096916
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2C)ncc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-4-3-5-12(16)9(10)2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLOYZVZAQTOEDJW-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

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Related Compounds

2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
N-(5-bromo-4-methyl-2-pyridinyl)-5-chloro-2-hydrazinylbenzamide
CID 79729244
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-7-carboxamide
CID 79733331
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79730155
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide (CID 107096916) is N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide is Cc1cc(NC(=O)c2cccc(Cl)c2C)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide?
The InChIKey is LOYZVZAQTOEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-4-3-5-12(16)9(10)2/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-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 N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107096916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).