2,4-dimethylbenzene-1,3-dicarboxamide

C10H12N2O2 — CID 19767105

IUPAC2,4-dimethylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C)c1C(N)=O
InChIInChI=1S/C10H12N2O2/c1-5-3-4-7(9(11)13)6(2)8(5)10(12)14/h3-4H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyXXNCLJNQFHHHAJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.50
Rot. Bonds2

About 2,4-dimethylbenzene-1,3-dicarboxamide

2,4-dimethylbenzene-1,3-dicarboxamide (PubChem CID 19767105) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,4-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4-dimethylbenzene-1,3-dicarboxamide
PubChem CID19767105
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2,4-dimethylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C)c1C(N)=O
InChIInChI=1S/C10H12N2O2/c1-5-3-4-7(9(11)13)6(2)8(5)10(12)14/h3-4H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyXXNCLJNQFHHHAJ-UHFFFAOYSA-N
XLogP0.50
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2,4-dimethylbenzamide
CID 119006165
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
2-carbamoyl-3,4-dimethylbenzoate
CID 22769833
benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2,6-dimethyl-3-nitrobenzamide
CID 118992531
2,6-dimethyl-3-phenylbenzamide;hydrochloride
CID 175606974
2,3-dimethylbenzamide;ethane
CID 143389789
3,4-dimethyl-2-piperidin-4-yloxybenzamide
CID 175125631
3,4-dimethyl-2-propylbenzamide
CID 154390636
cyclohexane;2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 67877311
2,3-dimethyl-4-propan-2-ylbenzamide
CID 154461721

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 2,4-dimethylbenzene-1,3-dicarboxamide (CID 19767105) is 2,4-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2,4-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2,4-dimethylbenzene-1,3-dicarboxamide is Cc1ccc(C(N)=O)c(C)c1C(N)=O.
What is the InChIKey of 2,4-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is XXNCLJNQFHHHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-5-3-4-7(9(11)13)6(2)8(5)10(12)14/h3-4H,1-2H3,(H2,11,13)(H2,12,14).
What are the key properties of 2,4-dimethylbenzene-1,3-dicarboxamide?
2,4-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 19767105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).