2-acetyl-4-methylbenzamide

C10H11NO2 — CID 163253724

IUPAC2-acetyl-4-methylbenzamide
SMILESCC(=O)c1cc(C)ccc1C(N)=O
InChIInChI=1S/C10H11NO2/c1-6-3-4-8(10(11)13)9(5-6)7(2)12/h3-5H,1-2H3,(H2,11,13)
InChIKeyWDGUEFAUCRFECY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.30
Rot. Bonds2

About 2-acetyl-4-methylbenzamide

2-acetyl-4-methylbenzamide (PubChem CID 163253724) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-acetyl-4-methylbenzamide.

Molecular Properties

Compound Name2-acetyl-4-methylbenzamide
PubChem CID163253724
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-acetyl-4-methylbenzamide
SMILESCC(=O)c1cc(C)ccc1C(N)=O
InChIInChI=1S/C10H11NO2/c1-6-3-4-8(10(11)13)9(5-6)7(2)12/h3-5H,1-2H3,(H2,11,13)
InChIKeyWDGUEFAUCRFECY-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-4-chlorobenzamide
CID 157282795
1-(2-acetyl-4-methylphenyl)-2-methylpropan-1-one
CID 177054489
4-methyl-2-sulfanylbenzamide
CID 89156088
2-acetyl-5-carbamoylterephthalic acid
CID 123957028
2-(hydroxymethyl)-5-methylbenzamide
CID 166888103
3,4-diacetylbenzamide
CID 70447380
2-benzoyl-5-methylbenzamide
CID 69123799
1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
CID 162369564
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
1-[2-[2-[(2S)-2-aminocyclopentyl]ethyl]-4-methylphenyl]ethanone
CID 121314235
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-methylbenzamide?
The IUPAC name of 2-acetyl-4-methylbenzamide (CID 163253724) is 2-acetyl-4-methylbenzamide.
What is the SMILES notation for 2-acetyl-4-methylbenzamide?
The canonical SMILES for 2-acetyl-4-methylbenzamide is CC(=O)c1cc(C)ccc1C(N)=O.
What is the InChIKey of 2-acetyl-4-methylbenzamide?
The InChIKey is WDGUEFAUCRFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-4-8(10(11)13)9(5-6)7(2)12/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 2-acetyl-4-methylbenzamide?
2-acetyl-4-methylbenzamide has a molecular weight of 177.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-methylbenzamide is sourced from PubChem (CID 163253724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).