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

C14H12BrClN2O — CID 104852796

IUPAC3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-5-10(7-11(15)6-8)14(19)18-12-9(2)3-4-17-13(12)16/h3-7H,1-2H3,(H,18,19)
InChIKeyVNPJAJHHHRQBDK-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

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

3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide (PubChem CID 104852796) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
PubChem CID104852796
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-5-10(7-11(15)6-8)14(19)18-12-9(2)3-4-17-13(12)16/h3-7H,1-2H3,(H,18,19)
InChIKeyVNPJAJHHHRQBDK-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

3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989546
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
CID 122143078
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide (CID 104852796) is 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2c(C)ccnc2Cl)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide?
The InChIKey is VNPJAJHHHRQBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-5-10(7-11(15)6-8)14(19)18-12-9(2)3-4-17-13(12)16/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide?
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-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 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide is sourced from PubChem (CID 104852796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).