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

C14H12BrClN2O — CID 106509648

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-4-11(12(16)5-8)14(19)18-13-9(2)6-10(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyFNMJDIMWILVDOG-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

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

N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide (PubChem CID 106509648) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
PubChem CID106509648
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Br)cc2C)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-4-11(12(16)5-8)14(19)18-13-9(2)6-10(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyFNMJDIMWILVDOG-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

N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-5-chlorofuran-2-carboxamide
CID 81489265
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 81487581
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-2-(ethylamino)benzamide
CID 83167924
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide (CID 106509648) is N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(Br)cc2C)c(Cl)c1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide?
The InChIKey is FNMJDIMWILVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-3-4-11(12(16)5-8)14(19)18-13-9(2)6-10(15)7-17-13/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-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-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106509648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).