N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

C23H18I2N4O3 — CID 4688701

IUPACN-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)NN=Cc1ccc(I)cc1)NN=Cc1ccc(I)cc1
InChIInChI=1S/C23H18I2N4O3/c24-18-9-5-16(6-10-18)13-26-28-22(30)15-32-21-4-2-1-3-20(21)23(31)29-27-14-17-7-11-19(25)12-8-17/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyKQOCEZMHZDBSJX-UHFFFAOYSA-N
MW652.23 g/mol
LogP4.19
Rot. Bonds8

About N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (PubChem CID 4688701) has the molecular formula C23H18I2N4O3 and a molecular weight of 652.23 g/mol. Its IUPAC name is N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
PubChem CID4688701
Molecular FormulaC23H18I2N4O3
Molecular Weight652.23 g/mol
Exact Mass651.95
IUPAC NameN-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)NN=Cc1ccc(I)cc1)NN=Cc1ccc(I)cc1
InChIInChI=1S/C23H18I2N4O3/c24-18-9-5-16(6-10-18)13-26-28-22(30)15-32-21-4-2-1-3-20(21)23(31)29-27-14-17-7-11-19(25)12-8-17/h1-14H,15H2,(H,28,30)(H,29,31)
InChIKeyKQOCEZMHZDBSJX-UHFFFAOYSA-N
XLogP4.19
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.23
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3482224
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The IUPAC name of N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (CID 4688701) is N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)NN=Cc1ccc(I)cc1)NN=Cc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The InChIKey is KQOCEZMHZDBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18I2N4O3/c24-18-9-5-16(6-10-18)13-26-28-22(30)15-32-21-4-2-1-3-20(21)23(31)29-27-14-17-7-11-19(25)12-8-17/h1-14H,15H2,(H,28,30)(H,29,31).
What are the key properties of N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide has a molecular weight of 652.23 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 4688701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).