3-acetylbenzamide

C9H9NO2 — CID 23279231

IUPAC3-acetylbenzamide
SMILESCC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H9NO2/c1-6(11)7-3-2-4-8(5-7)9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyVTBUZDRQHQPEQY-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.99
Rot. Bonds2

About 3-acetylbenzamide

3-acetylbenzamide (PubChem CID 23279231) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-acetylbenzamide.

Molecular Properties

Compound Name3-acetylbenzamide
PubChem CID23279231
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-acetylbenzamide
SMILESCC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H9NO2/c1-6(11)7-3-2-4-8(5-7)9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyVTBUZDRQHQPEQY-UHFFFAOYSA-N
XLogP0.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetylbenzamide?
The IUPAC name of 3-acetylbenzamide (CID 23279231) is 3-acetylbenzamide.
What is the SMILES notation for 3-acetylbenzamide?
The canonical SMILES for 3-acetylbenzamide is CC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-acetylbenzamide?
The InChIKey is VTBUZDRQHQPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6(11)7-3-2-4-8(5-7)9(10)12/h2-5H,1H3,(H2,10,12).
What are the key properties of 3-acetylbenzamide?
3-acetylbenzamide has a molecular weight of 163.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylbenzamide is sourced from PubChem (CID 23279231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).