N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide

C14H10N4O6 — CID 86261394

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/b15-8+
InChIKeyXAWKXFKDEYZNHQ-OVCLIPMQSA-N
MW330.26 g/mol
LogP1.97
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 86261394) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID86261394
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/b15-8+
InChIKeyXAWKXFKDEYZNHQ-OVCLIPMQSA-N
XLogP1.97
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
Pkumdl-WQ-2101
CID 135403154
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
4-hydroxy-N'-[1-(3-nitrophenyl)ethylidene]benzohydrazide
CID 5402794
N-(4-{N'-[(E)-(3-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
CID 46496335
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide (CID 86261394) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is XAWKXFKDEYZNHQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 330.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 86261394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).