N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

C15H12IN3O5 — CID 136824462

IUPACN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12IN3O5/c16-11-1-4-13(5-2-11)24-9-15(21)18-17-8-10-7-12(19(22)23)3-6-14(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-
InChIKeyQLKAUMINPQQFCE-IUXPMGMMSA-N
MW441.18 g/mol
LogP2.43
Rot. Bonds6

About N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (PubChem CID 136824462) has the molecular formula C15H12IN3O5 and a molecular weight of 441.18 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
PubChem CID136824462
Molecular FormulaC15H12IN3O5
Molecular Weight441.18 g/mol
Exact Mass440.98
IUPAC NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12IN3O5/c16-11-1-4-13(5-2-11)24-9-15(21)18-17-8-10-7-12(19(22)23)3-6-14(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-
InChIKeyQLKAUMINPQQFCE-IUXPMGMMSA-N
XLogP2.43
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
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': '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

2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
ethyl 4-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678562
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
2-(1,3-benzodioxol-5-yloxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 136864514
2-(1,3-benzodioxol-5-yloxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4112461
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3694397
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (CID 136824462) is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The InChIKey is QLKAUMINPQQFCE-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H12IN3O5/c16-11-1-4-13(5-2-11)24-9-15(21)18-17-8-10-7-12(19(22)23)3-6-14(10)20/h1-8,20H,9H2,(H,18,21)/b17-8-.
What are the key properties of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide has a molecular weight of 441.18 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 136824462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).