Q6O

N-(4-chloro-2,5-dimethoxyphenyl)acetamide

Created:	2022-06-01
Last modified:	2023-02-15

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2 entries where Q6O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of Q6O

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Chemical Component Summary
Name	N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide
Formula	C₁₀ H₁₂ Cl N O₃
Molecular Weight	229.66
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(NC(C)=O)c(cc1Cl)OC
SMILES	CACTVS	3.385	COc1cc(NC(C)=O)c(OC)cc1Cl
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cc(c(cc1OC)Cl)OC
Canonical SMILES	CACTVS	3.385	COc1cc(NC(C)=O)c(OC)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cc(c(cc1OC)Cl)OC
InChI	InChI	1.03	InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)
InChIKey	InChI	1.03	OQKSIDOPPLSAOL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	243584

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