N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C17H13N3O6 — CID 7116308

IUPACN'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O6/c21-16(10-25-13-7-5-12(6-8-13)20(23)24)18-19-17(22)15-9-11-3-1-2-4-14(11)26-15/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyHHXSOOCFTXLZJP-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.18
Rot. Bonds5

About N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 7116308) has the molecular formula C17H13N3O6 and a molecular weight of 355.31 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID7116308
Molecular FormulaC17H13N3O6
Molecular Weight355.31 g/mol
Exact Mass355.08
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O6/c21-16(10-25-13-7-5-12(6-8-13)20(23)24)18-19-17(22)15-9-11-3-1-2-4-14(11)26-15/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyHHXSOOCFTXLZJP-UHFFFAOYSA-N
XLogP2.18
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
N-[4-(4-nitrophenyl)sulfanylphenyl]-1-benzofuran-2-carboxamide
CID 17296716
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 9366397
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 7116308) is N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is HHXSOOCFTXLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O6/c21-16(10-25-13-7-5-12(6-8-13)20(23)24)18-19-17(22)15-9-11-3-1-2-4-14(11)26-15/h1-9H,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 355.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 7116308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).