m-Toluamide

C8H9NO — CID 69253

IUPAC3-methylbenzamide
SMILESCC1=CC(=CC=C1)C(=O)N
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyWGRPQCFFBRDZFV-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.20
Rot. Bonds1

About m-Toluamide

m-Toluamide (PubChem CID 69253) has the molecular formula C8H9NO and a molecular weight of 135.16 g/mol. Its IUPAC name is 3-methylbenzamide.

Molecular Properties

Compound Namem-Toluamide
PubChem CID69253
Molecular FormulaC8H9NO
Molecular Weight135.16 g/mol
Exact Mass135.07
IUPAC Name3-methylbenzamide
SMILESCC1=CC(=CC=C1)C(=O)N
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyWGRPQCFFBRDZFV-UHFFFAOYSA-N
XLogP1.20
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide
CID 2331
N,N-diethyl-m-toluamide
CID 4284
N-Methylbenzamide
CID 11954
Benzoylhydrazine
CID 11955
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
Isophthalyl dihydrazide
CID 72700
2-Methylbenzamide
CID 10704

Frequently Asked Questions

What is the IUPAC name of m-Toluamide?
The IUPAC name of m-Toluamide (CID 69253) is 3-methylbenzamide.
What is the SMILES notation for m-Toluamide?
The canonical SMILES for m-Toluamide is CC1=CC(=CC=C1)C(=O)N.
What is the InChIKey of m-Toluamide?
The InChIKey is WGRPQCFFBRDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10).
What are the key properties of m-Toluamide?
m-Toluamide has a molecular weight of 135.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for m-Toluamide is sourced from PubChem (CID 69253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).