3-chloro-N-(6-methyl-2-pyridinyl)benzamide

C13H11ClN2O — CID 835261

IUPAC3-chloro-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
InChIKeyHNLLGNJHYQMYEI-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-N-(6-methyl-2-pyridinyl)benzamide

3-chloro-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 835261) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-chloro-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID835261
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name3-chloro-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
InChIKeyHNLLGNJHYQMYEI-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(6-methyl-2-pyridinyl)benzamide (CID 835261) is 3-chloro-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is HNLLGNJHYQMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-N-(6-methyl-2-pyridinyl)benzamide?
3-chloro-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 246.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 835261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).