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

C13H11ClN2O — CID 669180

IUPAC3-chloro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)
InChIKeyYVYDSKIWKFBNOT-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.66
Rot. Bonds3

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

3-chloro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 669180) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-chloro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID669180
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name3-chloro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)
InChIKeyYVYDSKIWKFBNOT-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(pyridin-2-ylmethyl)benzamide (CID 669180) is 3-chloro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YVYDSKIWKFBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17).
What are the key properties of 3-chloro-N-(pyridin-2-ylmethyl)benzamide?
3-chloro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 246.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 669180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).