2-bromo-N-(5-chloro-2-pyridinyl)benzamide

C12H8BrClN2O — CID 670512

IUPAC2-bromo-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C12H8BrClN2O/c13-10-4-2-1-3-9(10)12(17)16-11-6-5-8(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyGAEPGBZQXKWEKK-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

About 2-bromo-N-(5-chloro-2-pyridinyl)benzamide

2-bromo-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 670512) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID670512
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name2-bromo-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1Br
InChIInChI=1S/C12H8BrClN2O/c13-10-4-2-1-3-9(10)12(17)16-11-6-5-8(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyGAEPGBZQXKWEKK-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(5-chloro-2-pyridinyl)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 2-bromo-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-pyridinyl)benzamide (CID 670512) is 2-bromo-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-pyridinyl)benzamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is GAEPGBZQXKWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-10-4-2-1-3-9(10)12(17)16-11-6-5-8(14)7-15-11/h1-7H,(H,15,16,17).
What are the key properties of 2-bromo-N-(5-chloro-2-pyridinyl)benzamide?
2-bromo-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 670512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).