3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H13ClN2O — CID 807244

IUPAC3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C14H13ClN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOBYLNJVEKYTAIL-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.97
Rot. Bonds3

About 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide

3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 807244) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID807244
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C14H13ClN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOBYLNJVEKYTAIL-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 807244) is 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is OBYLNJVEKYTAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-5-6-11(8-13(10)15)14(18)17-9-12-4-2-3-7-16-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 260.72 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 807244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).