N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide

C17H13N3O5 — CID 11595259

IUPACN'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyUCJQERPCMJXITB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.34
Rot. Bonds4

About N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide

N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide (PubChem CID 11595259) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide
PubChem CID11595259
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyUCJQERPCMJXITB-UHFFFAOYSA-N
XLogP2.34
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide (CID 11595259) is N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide is O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is UCJQERPCMJXITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide?
N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 339.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 11595259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).