2-chloro-N-methyl-5-pyridin-4-ylbenzamide

C13H11ClN2O — CID 28809932

IUPAC2-chloro-N-methyl-5-pyridin-4-ylbenzamide
SMILESCNC(=O)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C13H11ClN2O/c1-15-13(17)11-8-10(2-3-12(11)14)9-4-6-16-7-5-9/h2-8H,1H3,(H,15,17)
InChIKeyOLBUHWODSUQLTE-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-N-methyl-5-pyridin-4-ylbenzamide

2-chloro-N-methyl-5-pyridin-4-ylbenzamide (PubChem CID 28809932) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-pyridin-4-ylbenzamide
PubChem CID28809932
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-N-methyl-5-pyridin-4-ylbenzamide
SMILESCNC(=O)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C13H11ClN2O/c1-15-13(17)11-8-10(2-3-12(11)14)9-4-6-16-7-5-9/h2-8H,1H3,(H,15,17)
InChIKeyOLBUHWODSUQLTE-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-N-methyl-5-pyridin-4-ylbenzamide (CID 28809932) is 2-chloro-N-methyl-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-5-pyridin-4-ylbenzamide is CNC(=O)c1cc(-c2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-pyridin-4-ylbenzamide?
The InChIKey is OLBUHWODSUQLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-15-13(17)11-8-10(2-3-12(11)14)9-4-6-16-7-5-9/h2-8H,1H3,(H,15,17).
What are the key properties of 2-chloro-N-methyl-5-pyridin-4-ylbenzamide?
2-chloro-N-methyl-5-pyridin-4-ylbenzamide has a molecular weight of 246.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 28809932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).