N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide

C17H17IN2O4 — CID 55334001

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O4/c1-2-23-14-9-5-6-10-15(14)24-11-16(21)19-20-17(22)12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJJDBWNFZDUGYMM-UHFFFAOYSA-N
MW440.24 g/mol
LogP2.53
Rot. Bonds6

About N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide (PubChem CID 55334001) has the molecular formula C17H17IN2O4 and a molecular weight of 440.24 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
PubChem CID55334001
Molecular FormulaC17H17IN2O4
Molecular Weight440.24 g/mol
Exact Mass440.02
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O4/c1-2-23-14-9-5-6-10-15(14)24-11-16(21)19-20-17(22)12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJJDBWNFZDUGYMM-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-ethoxyphenoxy)acetyl]-2-ethylbutanehydrazide
CID 78775327
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698502
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
CID 4960754
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
1-N',6-N'-bis(2-iodobenzoyl)hexanedihydrazide
CID 3752401
3-amino-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 29416681

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide (CID 55334001) is N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1ccccc1I.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide?
The InChIKey is JJDBWNFZDUGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O4/c1-2-23-14-9-5-6-10-15(14)24-11-16(21)19-20-17(22)12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide has a molecular weight of 440.24 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide is sourced from PubChem (CID 55334001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).