2-chloro-N-(4-methyl-2-pyridinyl)benzamide

C13H11ClN2O — CID 835324

IUPAC2-chloro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2O/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17)
InChIKeyACRMCMNXOLECBG-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-N-(4-methyl-2-pyridinyl)benzamide

2-chloro-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 835324) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID835324
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2O/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17)
InChIKeyACRMCMNXOLECBG-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 2-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)benzamide (CID 835324) is 2-chloro-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is ACRMCMNXOLECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-methyl-2-pyridinyl)benzamide?
2-chloro-N-(4-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 2-chloro-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 835324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).