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

C14H12BrClN2O2 — CID 1396763

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-8-10(15)4-6-13(17-8)18-14(19)9-3-5-12(20-2)11(16)7-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyUQGUUAIIPDIINU-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.07
Rot. Bonds3

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

N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide (PubChem CID 1396763) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
PubChem CID1396763
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-8-10(15)4-6-13(17-8)18-14(19)9-3-5-12(20-2)11(16)7-9/h3-7H,1-2H3,(H,17,18,19)
InChIKeyUQGUUAIIPDIINU-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

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Related Compounds

N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-3-chloro-4-methoxybenzamide
CID 1289437
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
CID 1296785
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 17274555
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
3-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 4509618

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide (CID 1396763) is N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide?
The InChIKey is UQGUUAIIPDIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8-10(15)4-6-13(17-8)18-14(19)9-3-5-12(20-2)11(16)7-9/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-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 N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 1396763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).