A1IBY

3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide

Created:	2024-05-20
Last modified:	2025-05-28

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1 entries where A1IBY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of A1IBY

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Chemical Component Summary
Name	3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide
Systematic Name (OpenEye OEToolkits)	3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide
Formula	C₁₃ H₁₁ Cl N₂ O
Molecular Weight	246.692
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cccc(c1)C(=O)NCc2ccccn2
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNC(=O)c2cccc(c2)Cl
Canonical SMILES	CACTVS	3.385	Clc1cccc(c1)C(=O)NCc2ccccn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNC(=O)c2cccc(c2)Cl
InChI	InChI	1.06	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)
InChIKey	InChI	1.06	YVYDSKIWKFBNOT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	669180

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