A1AXD

3,4-dimethylbenzamide

Created:	2024-07-10
Last modified:	2025-03-26

Find Related PDB Entry
1 entries where A1AXD is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

2D diagram of A1AXD

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3,4-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)	3,4-dimethylbenzamide
Formula	C₉ H₁₁ N O
Molecular Weight	149.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(cc1C)C(N)=O
SMILES	CACTVS	3.385	Cc1ccc(cc1C)C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1C)C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)C(=O)N
InChI	InChI	1.06	InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChIKey	InChI	1.06	INGCXEIJXKQPJH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21755
ChEBI	CHEBI:194744

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.