N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide

C10H10N2O4 — CID 13069186

IUPACN-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCC2
InChIInChI=1S/C10H10N2O4/c1-6(13)11-8-4-7-2-3-16-10(7)5-9(8)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyUEYUYGIOHOKHLF-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.49
Rot. Bonds2

About N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide

N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 13069186) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID13069186
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCC2
InChIInChI=1S/C10H10N2O4/c1-6(13)11-8-4-7-2-3-16-10(7)5-9(8)12(14)15/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyUEYUYGIOHOKHLF-UHFFFAOYSA-N
XLogP1.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Acetamido-4-benzyloxy-2-nitrobenzene
CID 265888
Acetamide, N-(4-ethoxy-2-nitrophenyl)-
CID 70170
N-[3-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 309293
N-(4-Methoxy-2-nitrophenyl)cinnamamide
CID 5340232
N-(4-ethoxy-2-nitrophenyl)-2-phenylacetamide
CID 4537093
Acetamide, N-[2-nitro-4-(pentyloxy)phenyl]-
CID 20833843
Acetamide, N-[3-[(3-nitrophenyl)methoxy]phenyl]-
CID 267838
3-(4-ethoxyphenyl)-N-(4-methoxy-2-nitrophenyl)acrylamide
CID 5711148
(E)-N-(4-ethoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5736871
N-(4-ethoxy-2-nitrophenyl)cinnamamide
CID 6057263
N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 2852196
6-Nitro-2,3-dihydrobenzofuran-5-amine
CID 13069187

Frequently Asked Questions

What is the IUPAC name of N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 13069186) is N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide is CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCC2.
What is the InChIKey of N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is UEYUYGIOHOKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6(13)11-8-4-7-2-3-16-10(7)5-9(8)12(14)15/h4-5H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide?
N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 222.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 13069186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).