N-(5-chloro-2-pyridinyl)-4-methylbenzamide

C13H11ClN2O — CID 644704

IUPACN-(5-chloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H11ClN2O/c1-9-2-4-10(5-3-9)13(17)16-12-7-6-11(14)8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyGENAZTIIDZVFNK-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4-methylbenzamide

N-(5-chloro-2-pyridinyl)-4-methylbenzamide (PubChem CID 644704) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methylbenzamide
PubChem CID644704
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H11ClN2O/c1-9-2-4-10(5-3-9)13(17)16-12-7-6-11(14)8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyGENAZTIIDZVFNK-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 N-(5-chloro-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methylbenzamide (CID 644704) is N-(5-chloro-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methylbenzamide?
The InChIKey is GENAZTIIDZVFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-2-4-10(5-3-9)13(17)16-12-7-6-11(14)8-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methylbenzamide?
N-(5-chloro-2-pyridinyl)-4-methylbenzamide 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 N-(5-chloro-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 644704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).