2-methylbenzamide

C8H9NO — CID 10704

IUPAC2-methylbenzamide
SMILESCc1ccccc1C(N)=O
InChIInChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyXXUNIGZDNWWYED-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.09
Rot. Bonds1

About 2-methylbenzamide

2-methylbenzamide (PubChem CID 10704) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methylbenzamide.

Molecular Properties

Compound Name2-methylbenzamide
PubChem CID10704
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-methylbenzamide
SMILESCc1ccccc1C(N)=O
InChIInChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyXXUNIGZDNWWYED-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide
CID 2331
Benzeneacetamide
CID 7680
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
2-Phenylbutanamide
CID 7011
2-Methyl-N,N-diethylbenzamide
CID 75945
4-Methylbenzamide
CID 69274

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzamide?
The IUPAC name of 2-methylbenzamide (CID 10704) is 2-methylbenzamide.
What is the SMILES notation for 2-methylbenzamide?
The canonical SMILES for 2-methylbenzamide is Cc1ccccc1C(N)=O.
What is the InChIKey of 2-methylbenzamide?
The InChIKey is XXUNIGZDNWWYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10).
What are the key properties of 2-methylbenzamide?
2-methylbenzamide has a molecular weight of 135.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzamide is sourced from PubChem (CID 10704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).