N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide

C14H9I2N3O4 — CID 135428733

IUPACN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9I2N3O4/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+
InChIKeyZSMCPULYUDXDJM-REZTVBANSA-N
MW537.05 g/mol
LogP3.27
Rot. Bonds4

About N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 135428733) has the molecular formula C14H9I2N3O4 and a molecular weight of 537.05 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID135428733
Molecular FormulaC14H9I2N3O4
Molecular Weight537.05 g/mol
Exact Mass536.87
IUPAC NameN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9I2N3O4/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+
InChIKeyZSMCPULYUDXDJM-REZTVBANSA-N
XLogP3.27
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.05
LogP ≤ 53.27
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': 'iodine', '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
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
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-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide (CID 135428733) is N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is ZSMCPULYUDXDJM-REZTVBANSA-N. The full InChI is InChI=1S/C14H9I2N3O4/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 537.05 g/mol, XLogP of 3.27, 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-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135428733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).