5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide

C13H10BrClN2O — CID 2079807

IUPAC5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClN2O/c14-10-3-4-12(15)11(6-10)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,18)
InChIKeyOXAAILJIWQMHAD-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide

5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2079807) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2079807
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClN2O/c14-10-3-4-12(15)11(6-10)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,18)
InChIKeyOXAAILJIWQMHAD-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide (CID 2079807) is 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OXAAILJIWQMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-10-3-4-12(15)11(6-10)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide?
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 325.59 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2079807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).