2,3-dimethylbenzamide;ethane

C11H17NO — CID 143389789

IUPAC2,3-dimethylbenzamide;ethane
SMILESCC.Cc1cccc(C(N)=O)c1C
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3
InChIKeyQABNMUHGNWAPPU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.43
Rot. Bonds1

About 2,3-dimethylbenzamide;ethane

2,3-dimethylbenzamide;ethane (PubChem CID 143389789) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,3-dimethylbenzamide;ethane.

Molecular Properties

Compound Name2,3-dimethylbenzamide;ethane
PubChem CID143389789
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,3-dimethylbenzamide;ethane
SMILESCC.Cc1cccc(C(N)=O)c1C
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3
InChIKeyQABNMUHGNWAPPU-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbenzoyl iodide
CID 87941796
2,3-dimethylbenzamide;piperidine-1-carboxylic acid
CID 174249980
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
2-methylbenzamide;molecular hydrogen
CID 177161283
2,3-dimethylbenzohydrazide
CID 16790549
ethane;N,2,3-trimethylbenzamide
CID 178108869
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
3-methyl-2-nitrosobenzamide
CID 88560942
aminomethyl 2,3-dimethylbenzoate
CID 66871801
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2-methyl-3-propylbenzamide
CID 66693156
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzamide;ethane?
The IUPAC name of 2,3-dimethylbenzamide;ethane (CID 143389789) is 2,3-dimethylbenzamide;ethane.
What is the SMILES notation for 2,3-dimethylbenzamide;ethane?
The canonical SMILES for 2,3-dimethylbenzamide;ethane is CC.Cc1cccc(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethylbenzamide;ethane?
The InChIKey is QABNMUHGNWAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3.
What are the key properties of 2,3-dimethylbenzamide;ethane?
2,3-dimethylbenzamide;ethane has a molecular weight of 179.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzamide;ethane is sourced from PubChem (CID 143389789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).