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

C13H11ClN2O — CID 669068

IUPAC2-chloro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2O/c14-12-6-2-1-5-11(12)13(17)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17)
InChIKeyNQAGJPZQALILOT-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.66
Rot. Bonds3

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

2-chloro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 669068) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID669068
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2O/c14-12-6-2-1-5-11(12)13(17)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17)
InChIKeyNQAGJPZQALILOT-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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Related Compounds

5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-isocyanato-N-(pyridin-3-ylmethyl)benzamide
CID 169352552
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)benzamide (CID 669068) is 2-chloro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NQAGJPZQALILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-12-6-2-1-5-11(12)13(17)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17).
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-N-(pyridin-3-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 2-chloro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 669068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).