2,3-diacetyl-4-hydroxybenzamide

C11H11NO4 — CID 174459888

IUPAC2,3-diacetyl-4-hydroxybenzamide
SMILESCC(=O)c1c(O)ccc(C(N)=O)c1C(C)=O
InChIInChI=1S/C11H11NO4/c1-5(13)9-7(11(12)16)3-4-8(15)10(9)6(2)14/h3-4,15H,1-2H3,(H2,12,16)
InChIKeyGTCWJACFWFJOME-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.90
Rot. Bonds3

About 2,3-diacetyl-4-hydroxybenzamide

2,3-diacetyl-4-hydroxybenzamide (PubChem CID 174459888) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2,3-diacetyl-4-hydroxybenzamide.

Molecular Properties

Compound Name2,3-diacetyl-4-hydroxybenzamide
PubChem CID174459888
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2,3-diacetyl-4-hydroxybenzamide
SMILESCC(=O)c1c(O)ccc(C(N)=O)c1C(C)=O
InChIInChI=1S/C11H11NO4/c1-5(13)9-7(11(12)16)3-4-8(15)10(9)6(2)14/h3-4,15H,1-2H3,(H2,12,16)
InChIKeyGTCWJACFWFJOME-UHFFFAOYSA-N
XLogP0.90
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2,3,4-tetracarboxamide
CID 54274025
2,3-diamino-4-hydroxybenzamide
CID 70024037
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
CID 57373263
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
CID 131324658
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
CID 123728474
2-acetyl-4-methylbenzamide
CID 163253724
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone
CID 71361943
8-acetyl-7-hydroxychromen-2-one
CID 5411574
1-(5-bromo-2-hydroxynaphthalen-1-yl)ethanone
CID 167237921

Frequently Asked Questions

What is the IUPAC name of 2,3-diacetyl-4-hydroxybenzamide?
The IUPAC name of 2,3-diacetyl-4-hydroxybenzamide (CID 174459888) is 2,3-diacetyl-4-hydroxybenzamide.
What is the SMILES notation for 2,3-diacetyl-4-hydroxybenzamide?
The canonical SMILES for 2,3-diacetyl-4-hydroxybenzamide is CC(=O)c1c(O)ccc(C(N)=O)c1C(C)=O.
What is the InChIKey of 2,3-diacetyl-4-hydroxybenzamide?
The InChIKey is GTCWJACFWFJOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-5(13)9-7(11(12)16)3-4-8(15)10(9)6(2)14/h3-4,15H,1-2H3,(H2,12,16).
What are the key properties of 2,3-diacetyl-4-hydroxybenzamide?
2,3-diacetyl-4-hydroxybenzamide has a molecular weight of 221.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diacetyl-4-hydroxybenzamide is sourced from PubChem (CID 174459888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).