4-bromo-N-(pyridin-4-ylmethyl)benzamide

C13H11BrN2O — CID 791337

IUPAC4-bromo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyJDENYUNCWURNDJ-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.77
Rot. Bonds3

About 4-bromo-N-(pyridin-4-ylmethyl)benzamide

4-bromo-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 791337) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(pyridin-4-ylmethyl)benzamide
PubChem CID791337
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyJDENYUNCWURNDJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(pyridin-4-ylmethyl)benzamide (CID 791337) is 4-bromo-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JDENYUNCWURNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of 4-bromo-N-(pyridin-4-ylmethyl)benzamide?
4-bromo-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 291.15 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 791337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).