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

C14H12BrClN2O — CID 113397189

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeySKUBIEVUPLZMAS-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

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

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide (PubChem CID 113397189) 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)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
PubChem CID113397189
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeySKUBIEVUPLZMAS-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

4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide (CID 113397189) is N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1Cl.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide?
The InChIKey is SKUBIEVUPLZMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-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)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 113397189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).