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

C13H11BrN2O — CID 47265818

IUPAC4-bromo-2-methyl-N-pyridin-2-ylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H11BrN2O/c1-9-8-10(14)5-6-11(9)13(17)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyFXRGYMRJGVVKQY-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

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

4-bromo-2-methyl-N-pyridin-2-ylbenzamide (PubChem CID 47265818) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-pyridin-2-ylbenzamide
PubChem CID47265818
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-2-methyl-N-pyridin-2-ylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H11BrN2O/c1-9-8-10(14)5-6-11(9)13(17)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyFXRGYMRJGVVKQY-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-bromo-2-methyl-N-pyridin-2-ylbenzamide (CID 47265818) is 4-bromo-2-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-bromo-2-methyl-N-pyridin-2-ylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1ccccn1.
What is the InChIKey of 4-bromo-2-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is FXRGYMRJGVVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-8-10(14)5-6-11(9)13(17)16-12-4-2-3-7-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of 4-bromo-2-methyl-N-pyridin-2-ylbenzamide?
4-bromo-2-methyl-N-pyridin-2-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 4-bromo-2-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 47265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).