A1AX3

2,3-dimethylbenzamide

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AX3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of A1AX3

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Chemical Component Summary
Name	2,3-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)	2,3-dimethylbenzamide
Formula	C₉ H₁₁ N O
Molecular Weight	149.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c1cccc(C)c1C
SMILES	CACTVS	3.385	Cc1cccc(C(N)=O)c1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1cccc(C(N)=O)c1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C)C(=O)N
InChI	InChI	1.06	InChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKey	InChI	1.06	IZAYISYTIWLBNB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2800987
ChEBI	CHEBI:194754

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.