methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate

C17H15IN2O4 — CID 1381755

IUPACmethyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C17H15IN2O4/c1-23-17(22)13-4-2-12(3-5-13)10-19-20-16(21)11-24-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyTTXZEAFDJKWGBP-UHFFFAOYSA-N
MW438.22 g/mol
LogP2.61
Rot. Bonds6

About methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 1381755) has the molecular formula C17H15IN2O4 and a molecular weight of 438.22 g/mol. Its IUPAC name is methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID1381755
Molecular FormulaC17H15IN2O4
Molecular Weight438.22 g/mol
Exact Mass438.01
IUPAC Namemethyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C17H15IN2O4/c1-23-17(22)13-4-2-12(3-5-13)10-19-20-16(21)11-24-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyTTXZEAFDJKWGBP-UHFFFAOYSA-N
XLogP2.61
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
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

methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
[4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3809444
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135614205
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
[4-[[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5050842
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
methyl 4-[(E)-[[2-(2,3,6-trimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 6894994
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate (CID 1381755) is methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is TTXZEAFDJKWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O4/c1-23-17(22)13-4-2-12(3-5-13)10-19-20-16(21)11-24-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 438.22 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 1381755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).