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

C14H11N3O5 — CID 135403128

IUPAC4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1
InChIInChI=1S/C14H11N3O5/c18-12-4-1-9(2-5-12)14(20)16-15-8-10-7-11(17(21)22)3-6-13(10)19/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyPRXJGCMJCBEESW-OVCLIPMQSA-N
MW301.26 g/mol
LogP1.77
Rot. Bonds4

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

4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 135403128) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID135403128
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1
InChIInChI=1S/C14H11N3O5/c18-12-4-1-9(2-5-12)14(20)16-15-8-10-7-11(17(21)22)3-6-13(10)19/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyPRXJGCMJCBEESW-OVCLIPMQSA-N
XLogP1.77
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
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
4-hydroxy-N'-[1-(3-nitrophenyl)ethylidene]benzohydrazide
CID 5402794
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 135403128) is 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is PRXJGCMJCBEESW-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-12-4-1-9(2-5-12)14(20)16-15-8-10-7-11(17(21)22)3-6-13(10)19/h1-8,18-19H,(H,16,20)/b15-8+.
What are the key properties of 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 301.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135403128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).