N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide

C14H10N4O6 — CID 135554629

IUPACN-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1
InChIInChI=1S/C14H10N4O6/c19-13-10(6-11(17(21)22)7-12(13)18(23)24)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,16,20)/b15-8+
InChIKeyWQYXLSXQQJBRLX-OVCLIPMQSA-N
MW330.26 g/mol
LogP1.97
Rot. Bonds5

About N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide

N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide (PubChem CID 135554629) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
PubChem CID135554629
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC NameN-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1
InChIInChI=1S/C14H10N4O6/c19-13-10(6-11(17(21)22)7-12(13)18(23)24)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,16,20)/b15-8+
InChIKeyWQYXLSXQQJBRLX-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
2-hydroxy-N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642279
Neuraminidase-IN-1
CID 154585120
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
3,5-Dinitrosalicylic acid hydrazide
CID 3663247
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
2-hydroxy-N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135479551
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 135428733
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135641153
N'-(2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135400288
4-tert-butyl-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135588934

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide (CID 135554629) is N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide?
The InChIKey is WQYXLSXQQJBRLX-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13-10(6-11(17(21)22)7-12(13)18(23)24)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,16,20)/b15-8+.
What are the key properties of N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide?
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide 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-3,5-dinitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135554629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).