N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane

C12H13NO4 — CID 143956506

IUPACN-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
SMILESCC.CC(=O)Nc1cccc2c1C(=O)OC2=O
InChIInChI=1S/C10H7NO4.C2H6/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13;1-2/h2-4H,1H3,(H,11,12);1-2H3
InChIKeyBYTOTBRAWJFDPA-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.98
Rot. Bonds1

About N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane

N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane (PubChem CID 143956506) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
PubChem CID143956506
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
SMILESCC.CC(=O)Nc1cccc2c1C(=O)OC2=O
InChIInChI=1S/C10H7NO4.C2H6/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13;1-2/h2-4H,1H3,(H,11,12);1-2H3
InChIKeyBYTOTBRAWJFDPA-UHFFFAOYSA-N
XLogP1.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine;sulfane
CID 167693415
N-(6-bromo-7-methyl-5,8-dioxonaphthalen-1-yl)acetamide
CID 70291421
2-[3-[2-amino-2-(3-ethoxy-4-methoxyphenyl)ethyl]sulfonylpropylsulfonyl]-1-(3-ethoxy-4-methoxyphenyl)ethanamine;N-(1,3-dioxo-2-benzofuran-4-yl)acetamide
CID 161229853
4-[bis(2-methylprop-2-enyl)amino]-2-benzofuran-1,3-dione
CID 54173622
N-(2,3-dioxo-1H-indol-7-yl)acetamide
CID 131596537
N-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-8-yl)acetamide
CID 11096756
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane?
The IUPAC name of N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane (CID 143956506) is N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane.
What is the SMILES notation for N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane?
The canonical SMILES for N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane is CC.CC(=O)Nc1cccc2c1C(=O)OC2=O.
What is the InChIKey of N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane?
The InChIKey is BYTOTBRAWJFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4.C2H6/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13;1-2/h2-4H,1H3,(H,11,12);1-2H3.
What are the key properties of N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane?
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane has a molecular weight of 235.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane is sourced from PubChem (CID 143956506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).