N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride

C16H13ClN4O5 — CID 45261742

IUPACN'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride
SMILESCl.Nc1ccc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])o3)ccc2c1
InChIInChI=1S/C16H12N4O5.ClH/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(21)18-19-16(22)13-5-6-14(25-13)20(23)24;/h1-8H,17H2,(H,18,21)(H,19,22);1H
InChIKeyUFNJGYSTSJLIKR-UHFFFAOYSA-N
MW376.76 g/mol
LogP2.42
Rot. Bonds3

About N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride

N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride (PubChem CID 45261742) has the molecular formula C16H13ClN4O5 and a molecular weight of 376.76 g/mol. Its IUPAC name is N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride
PubChem CID45261742
Molecular FormulaC16H13ClN4O5
Molecular Weight376.76 g/mol
Exact Mass376.06
IUPAC NameN'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride
SMILESCl.Nc1ccc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])o3)ccc2c1
InChIInChI=1S/C16H12N4O5.ClH/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(21)18-19-16(22)13-5-6-14(25-13)20(23)24;/h1-8H,17H2,(H,18,21)(H,19,22);1H
InChIKeyUFNJGYSTSJLIKR-UHFFFAOYSA-N
XLogP2.42
TPSA140.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride?
The IUPAC name of N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride (CID 45261742) is N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride?
The canonical SMILES for N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride is Cl.Nc1ccc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])o3)ccc2c1.
What is the InChIKey of N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride?
The InChIKey is UFNJGYSTSJLIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5.ClH/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(21)18-19-16(22)13-5-6-14(25-13)20(23)24;/h1-8H,17H2,(H,18,21)(H,19,22);1H.
What are the key properties of N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride?
N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride has a molecular weight of 376.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 45261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).