2-[2-(2-iodophenoxy)ethoxy]benzohydrazide

C15H15IN2O3 — CID 63570332

IUPAC2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccccc1OCCOc1ccccc1I
InChIInChI=1S/C15H15IN2O3/c16-12-6-2-4-8-14(12)21-10-9-20-13-7-3-1-5-11(13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyLQHWSFPMEQFMBC-UHFFFAOYSA-N
MW398.20 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide

2-[2-(2-iodophenoxy)ethoxy]benzohydrazide (PubChem CID 63570332) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
PubChem CID63570332
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccccc1OCCOc1ccccc1I
InChIInChI=1S/C15H15IN2O3/c16-12-6-2-4-8-14(12)21-10-9-20-13-7-3-1-5-11(13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyLQHWSFPMEQFMBC-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
2-pentoxybenzohydrazide
CID 54793215
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 63569641
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-methoxybenzohydrazide
CID 24051
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013
2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80582813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide (CID 63570332) is 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide is NNC(=O)c1ccccc1OCCOc1ccccc1I.
What is the InChIKey of 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide?
The InChIKey is LQHWSFPMEQFMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-12-6-2-4-8-14(12)21-10-9-20-13-7-3-1-5-11(13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide?
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide has a molecular weight of 398.20 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodophenoxy)ethoxy]benzohydrazide is sourced from PubChem (CID 63570332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).