N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

C16H15I2N3O3 — CID 171985531

IUPACN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C\c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H15I2N3O3/c1-24-14-5-3-2-4-13(14)19-9-15(22)21-20-8-10-6-11(17)16(23)12(18)7-10/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyGKBIYZSIRBKJLX-ZBKNUEDVSA-N
MW551.12 g/mol
LogP3.17
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 171985531) has the molecular formula C16H15I2N3O3 and a molecular weight of 551.12 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID171985531
Molecular FormulaC16H15I2N3O3
Molecular Weight551.12 g/mol
Exact Mass550.92
IUPAC NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C\c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H15I2N3O3/c1-24-14-5-3-2-4-13(14)19-9-15(22)21-20-8-10-6-11(17)16(23)12(18)7-10/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyGKBIYZSIRBKJLX-ZBKNUEDVSA-N
XLogP3.17
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.12
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 3675951
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1246283
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135614416
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 135625822
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 171985531) is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C\c1cc(I)c(O)c(I)c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is GKBIYZSIRBKJLX-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H15I2N3O3/c1-24-14-5-3-2-4-13(14)19-9-15(22)21-20-8-10-6-11(17)16(23)12(18)7-10/h2-8,19,23H,9H2,1H3,(H,21,22)/b20-8-.
What are the key properties of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 551.12 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 171985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).