N-(4-nitro-1-benzofuran-2-yl)acetamide

C10H8N2O4 — CID 4977160

IUPACN-(4-nitro-1-benzofuran-2-yl)acetamide
SMILESCC(=O)Nc1cc2c([N+](=O)[O-])cccc2o1
InChIInChI=1S/C10H8N2O4/c1-6(13)11-10-5-7-8(12(14)15)3-2-4-9(7)16-10/h2-5H,1H3,(H,11,13)
InChIKeyQAROPRVUJBMRMM-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.30
Rot. Bonds2

About N-(4-nitro-1-benzofuran-2-yl)acetamide

N-(4-nitro-1-benzofuran-2-yl)acetamide (PubChem CID 4977160) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(4-nitro-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitro-1-benzofuran-2-yl)acetamide
PubChem CID4977160
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC NameN-(4-nitro-1-benzofuran-2-yl)acetamide
SMILESCC(=O)Nc1cc2c([N+](=O)[O-])cccc2o1
InChIInChI=1S/C10H8N2O4/c1-6(13)11-10-5-7-8(12(14)15)3-2-4-9(7)16-10/h2-5H,1H3,(H,11,13)
InChIKeyQAROPRVUJBMRMM-UHFFFAOYSA-N
XLogP2.30
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.30
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

N-(5-nitronaphthalen-2-yl)acetamide
CID 825939
N-(8-nitronaphthalen-2-yl)acetamide
CID 615480
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
methyl 5-nitro-1-oxoisochromene-3-carboxylate
CID 139128739
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1-benzofuran-2-yl)acetamide?
The IUPAC name of N-(4-nitro-1-benzofuran-2-yl)acetamide (CID 4977160) is N-(4-nitro-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for N-(4-nitro-1-benzofuran-2-yl)acetamide?
The canonical SMILES for N-(4-nitro-1-benzofuran-2-yl)acetamide is CC(=O)Nc1cc2c([N+](=O)[O-])cccc2o1.
What is the InChIKey of N-(4-nitro-1-benzofuran-2-yl)acetamide?
The InChIKey is QAROPRVUJBMRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-6(13)11-10-5-7-8(12(14)15)3-2-4-9(7)16-10/h2-5H,1H3,(H,11,13).
What are the key properties of N-(4-nitro-1-benzofuran-2-yl)acetamide?
N-(4-nitro-1-benzofuran-2-yl)acetamide has a molecular weight of 220.18 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 4977160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).