3,4-diacetylbenzamide

C11H11NO3 — CID 70447380

IUPAC3,4-diacetylbenzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1C(C)=O
InChIInChI=1S/C11H11NO3/c1-6(13)9-4-3-8(11(12)15)5-10(9)7(2)14/h3-5H,1-2H3,(H2,12,15)
InChIKeyONYRJFRXBIPLNF-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.19
Rot. Bonds3

About 3,4-diacetylbenzamide

3,4-diacetylbenzamide (PubChem CID 70447380) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3,4-diacetylbenzamide.

Molecular Properties

Compound Name3,4-diacetylbenzamide
PubChem CID70447380
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3,4-diacetylbenzamide
SMILESCC(=O)c1ccc(C(N)=O)cc1C(C)=O
InChIInChI=1S/C11H11NO3/c1-6(13)9-4-3-8(11(12)15)5-10(9)7(2)14/h3-5H,1-2H3,(H2,12,15)
InChIKeyONYRJFRXBIPLNF-UHFFFAOYSA-N
XLogP1.19
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-aminobenzamide
CID 171538072
2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate
CID 163438886
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
CID 143618771
2-acetyl-4-methylbenzamide
CID 163253724
4-chloro-3-(3-oxobutanoyl)benzamide
CID 139744464
2-acetyl-5-carbamoylterephthalic acid
CID 123957028
2-acetyl-4-chlorobenzamide
CID 157282795
2-phosphanylbenzene-1,4-dicarboxamide
CID 174651487
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
5-acetyl-2-sulfanylbenzamide
CID 22351950
5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide
CID 22351683
8-acetyl-9H-carbazole-2-carboxamide
CID 118680711

Frequently Asked Questions

What is the IUPAC name of 3,4-diacetylbenzamide?
The IUPAC name of 3,4-diacetylbenzamide (CID 70447380) is 3,4-diacetylbenzamide.
What is the SMILES notation for 3,4-diacetylbenzamide?
The canonical SMILES for 3,4-diacetylbenzamide is CC(=O)c1ccc(C(N)=O)cc1C(C)=O.
What is the InChIKey of 3,4-diacetylbenzamide?
The InChIKey is ONYRJFRXBIPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(13)9-4-3-8(11(12)15)5-10(9)7(2)14/h3-5H,1-2H3,(H2,12,15).
What are the key properties of 3,4-diacetylbenzamide?
3,4-diacetylbenzamide has a molecular weight of 205.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diacetylbenzamide is sourced from PubChem (CID 70447380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).