4-[2-(4-iodophenoxy)ethoxy]benzohydrazide

C15H15IN2O3 — CID 63576077

IUPAC4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCOc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15IN2O3/c16-12-3-7-14(8-4-12)21-10-9-20-13-5-1-11(2-6-13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyDWJGGVSKWSRJPD-UHFFFAOYSA-N
MW398.20 g/mol
LogP2.35
Rot. Bonds6

About 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide

4-[2-(4-iodophenoxy)ethoxy]benzohydrazide (PubChem CID 63576077) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
PubChem CID63576077
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCOc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15IN2O3/c16-12-3-7-14(8-4-12)21-10-9-20-13-5-1-11(2-6-13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyDWJGGVSKWSRJPD-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

4-pentoxybenzohydrazide
CID 2727702
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-(2-ethylsulfanylethoxy)benzohydrazide
CID 63582672
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[(4-iodophenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952972
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide (CID 63576077) is 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCOc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide?
The InChIKey is DWJGGVSKWSRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-12-3-7-14(8-4-12)21-10-9-20-13-5-1-11(2-6-13)15(19)18-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide?
4-[2-(4-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 4-[2-(4-iodophenoxy)ethoxy]benzohydrazide is sourced from PubChem (CID 63576077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).