3,4-dimethylbenzamide

C9H11NO — CID 21755

IUPAC3,4-dimethylbenzamide
SMILESCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChIKeyINGCXEIJXKQPJH-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.40
Rot. Bonds1

About 3,4-dimethylbenzamide

3,4-dimethylbenzamide (PubChem CID 21755) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,4-dimethylbenzamide.

Molecular Properties

Compound Name3,4-dimethylbenzamide
PubChem CID21755
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,4-dimethylbenzamide
SMILESCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChIKeyINGCXEIJXKQPJH-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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Related Compounds

Benzamide
CID 2331
Phthalamide
CID 6956
2-Trifluoromethylbenzamide
CID 67759
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
2-Cyanobenzamide
CID 72883
Terephthalamide
CID 76381
m-Toluamide
CID 69253
1-Naphthohydroxamic Acid
CID 23382
1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
N-hydroxy-4-methylbenzamide
CID 426839

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzamide?
The IUPAC name of 3,4-dimethylbenzamide (CID 21755) is 3,4-dimethylbenzamide.
What is the SMILES notation for 3,4-dimethylbenzamide?
The canonical SMILES for 3,4-dimethylbenzamide is Cc1ccc(C(N)=O)cc1C.
What is the InChIKey of 3,4-dimethylbenzamide?
The InChIKey is INGCXEIJXKQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 3,4-dimethylbenzamide?
3,4-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 3,4-dimethylbenzamide is sourced from PubChem (CID 21755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).