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

C14H11N3O4 — CID 135804363

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h1-9,18H,(H,16,19)/b15-9+
InChIKeyOJZRHFIBPAONQO-OQLLNIDSSA-N
MW285.26 g/mol
LogP2.06
Rot. Bonds4

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

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 135804363) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID135804363
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h1-9,18H,(H,16,19)/b15-9+
InChIKeyOJZRHFIBPAONQO-OQLLNIDSSA-N
XLogP2.06
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(1E)-(2-Hydroxy-5-nitrophenyl)methylidene]adamantane-1-carbohydrazide
CID 86261287
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
Neuraminidase-IN-1
CID 154585120
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
2,4-Dihydroxy-N'-(2-nitrobenzylidene)benzohydrazide
CID 5332442

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 135804363) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is OJZRHFIBPAONQO-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h1-9,18H,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 285.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135804363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).