2-bromo-3-methyl-N-pyridin-4-ylbenzamide

C13H11BrN2O — CID 103852962

IUPAC2-bromo-3-methyl-N-pyridin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccncc2)c1Br
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-8H,1H3,(H,15,16,17)
InChIKeyKUHOJHMRRPGJEY-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About 2-bromo-3-methyl-N-pyridin-4-ylbenzamide

2-bromo-3-methyl-N-pyridin-4-ylbenzamide (PubChem CID 103852962) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-pyridin-4-ylbenzamide
PubChem CID103852962
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-bromo-3-methyl-N-pyridin-4-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccncc2)c1Br
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-8H,1H3,(H,15,16,17)
InChIKeyKUHOJHMRRPGJEY-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 103853348
2-bromo-N-[3-(bromomethyl)phenyl]-3-methylbenzamide
CID 114024071
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-bromo-N-[4-(2-chloroethyl)phenyl]-3-methylbenzamide
CID 107983954
2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103853900
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-bromo-3-methyl-N-pyridin-4-ylbenzamide (CID 103852962) is 2-bromo-3-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-bromo-3-methyl-N-pyridin-4-ylbenzamide is Cc1cccc(C(=O)Nc2ccncc2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is KUHOJHMRRPGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10/h2-8H,1H3,(H,15,16,17).
What are the key properties of 2-bromo-3-methyl-N-pyridin-4-ylbenzamide?
2-bromo-3-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 103852962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).