N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide

C16H11N3O5 — CID 3474389

IUPACN'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11N3O5/c20-15(12-6-5-10-3-1-2-4-11(10)9-12)17-18-16(21)13-7-8-14(24-13)19(22)23/h1-9H,(H,17,20)(H,18,21)
InChIKeyPCXNDBFEVBDSII-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.42
Rot. Bonds3

About N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide

N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide (PubChem CID 3474389) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide
PubChem CID3474389
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC NameN'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11N3O5/c20-15(12-6-5-10-3-1-2-4-11(10)9-12)17-18-16(21)13-7-8-14(24-13)19(22)23/h1-9H,(H,17,20)(H,18,21)
InChIKeyPCXNDBFEVBDSII-UHFFFAOYSA-N
XLogP2.42
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.42
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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Related Compounds

N'-benzoyl-5-nitro-2-furohydrazide
CID 3794983
5-nitro-N'-(2-phenylacetyl)furan-2-carbohydrazide
CID 9971392
tert-butyl N-[6-[[(5-nitrofuran-2-carbonyl)amino]carbamoyl]naphthalen-2-yl]carbamate
CID 11532247
N'-(naphthalene-1-carbonyl)-5-nitrofuran-2-carbohydrazide
CID 11595007
5-Nitro-furan-2-carboxylic acid N''-(2-naphthalen-2-yl-acetyl)-hydrazide
CID 11595259
N'-naphthalen-1-ylsulfonyl-5-nitrofuran-2-carbohydrazide
CID 44346247
N'-(6-aminonaphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide;hydrochloride
CID 45261742
2-Propen-1-one, 1-(2-naphthalenyl)-3-(5-nitro-2-furanyl)-
CID 5349240
N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride
CID 45261685
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 145956568
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-nitrofuran-2-carbohydrazide
CID 3313075
N'-naphthalen-2-ylsulfonyl-5-nitrofuran-2-carbohydrazide
CID 44346273

Frequently Asked Questions

What is the IUPAC name of N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide (CID 3474389) is N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1.
What is the InChIKey of N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is PCXNDBFEVBDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-15(12-6-5-10-3-1-2-4-11(10)9-12)17-18-16(21)13-7-8-14(24-13)19(22)23/h1-9H,(H,17,20)(H,18,21).
What are the key properties of N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide?
N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 325.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(naphthalene-2-carbonyl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 3474389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).