N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide

C17H16IN3O5 — CID 5447838

IUPACN-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H16IN3O5/c1-10-5-13(18)6-11(2)17(10)26-9-16(23)20-19-8-12-7-14(22)3-4-15(12)21(24)25/h3-8,22H,9H2,1-2H3,(H,20,23)/b19-8-
InChIKeyXVGDXOYAANYBGQ-UWVJOHFNSA-N
MW469.24 g/mol
LogP3.05
Rot. Bonds6

About N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide

N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide (PubChem CID 5447838) has the molecular formula C17H16IN3O5 and a molecular weight of 469.24 g/mol. Its IUPAC name is N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
PubChem CID5447838
Molecular FormulaC17H16IN3O5
Molecular Weight469.24 g/mol
Exact Mass469.01
IUPAC NameN-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H16IN3O5/c1-10-5-13(18)6-11(2)17(10)26-9-16(23)20-19-8-12-7-14(22)3-4-15(12)21(24)25/h3-8,22H,9H2,1-2H3,(H,20,23)/b19-8-
InChIKeyXVGDXOYAANYBGQ-UWVJOHFNSA-N
XLogP3.05
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-chloro-3-methylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 40520553
2-(4-tert-butylphenoxy)-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 25251574
2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 1246133
2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 5084295
N-[(E)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590024
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
3-[(E)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7334056
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135884101
[3-[[[2-(4-iodo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
CID 1154023
2-(2,6-dimethyl-4-nitrophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
CID 834047
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136882181
2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5446377

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide (CID 5447838) is N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide is Cc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
The InChIKey is XVGDXOYAANYBGQ-UWVJOHFNSA-N. The full InChI is InChI=1S/C17H16IN3O5/c1-10-5-13(18)6-11(2)17(10)26-9-16(23)20-19-8-12-7-14(22)3-4-15(12)21(24)25/h3-8,22H,9H2,1-2H3,(H,20,23)/b19-8-.
What are the key properties of N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide?
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide has a molecular weight of 469.24 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 5447838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).