2,3-dimethylbenzamide

C9H11NO — CID 2800987

IUPAC2,3-dimethylbenzamide
SMILESCc1cccc(C(N)=O)c1C
InChIInChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyIZAYISYTIWLBNB-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.40
Rot. Bonds1

About 2,3-dimethylbenzamide

2,3-dimethylbenzamide (PubChem CID 2800987) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3-dimethylbenzamide.

Molecular Properties

Compound Name2,3-dimethylbenzamide
PubChem CID2800987
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3-dimethylbenzamide
SMILESCc1cccc(C(N)=O)c1C
InChIInChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKeyIZAYISYTIWLBNB-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzamide?
The IUPAC name of 2,3-dimethylbenzamide (CID 2800987) is 2,3-dimethylbenzamide.
What is the SMILES notation for 2,3-dimethylbenzamide?
The canonical SMILES for 2,3-dimethylbenzamide is Cc1cccc(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethylbenzamide?
The InChIKey is IZAYISYTIWLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 2,3-dimethylbenzamide?
2,3-dimethylbenzamide has a molecular weight of 149.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzamide is sourced from PubChem (CID 2800987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).