2-[(3-iodophenoxy)methyl]benzohydrazide

C14H13IN2O2 — CID 63576085

IUPAC2-[(3-iodophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1COc1cccc(I)c1
InChIInChI=1S/C14H13IN2O2/c15-11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyOCVAVWUQKRUGDI-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.47
Rot. Bonds4

About 2-[(3-iodophenoxy)methyl]benzohydrazide

2-[(3-iodophenoxy)methyl]benzohydrazide (PubChem CID 63576085) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-[(3-iodophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3-iodophenoxy)methyl]benzohydrazide
PubChem CID63576085
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name2-[(3-iodophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1COc1cccc(I)c1
InChIInChI=1S/C14H13IN2O2/c15-11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyOCVAVWUQKRUGDI-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[(3-iodophenoxy)methyl]phenyl]acetic acid
CID 113314320
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
2-[(4-cyanophenoxy)methyl]benzohydrazide
CID 63574454
2-(2-phenoxyethoxymethyl)benzohydrazide
CID 63574381
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenoxy)methyl]benzohydrazide?
The IUPAC name of 2-[(3-iodophenoxy)methyl]benzohydrazide (CID 63576085) is 2-[(3-iodophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 2-[(3-iodophenoxy)methyl]benzohydrazide?
The canonical SMILES for 2-[(3-iodophenoxy)methyl]benzohydrazide is NNC(=O)c1ccccc1COc1cccc(I)c1.
What is the InChIKey of 2-[(3-iodophenoxy)methyl]benzohydrazide?
The InChIKey is OCVAVWUQKRUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c15-11-5-3-6-12(8-11)19-9-10-4-1-2-7-13(10)14(18)17-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 2-[(3-iodophenoxy)methyl]benzohydrazide?
2-[(3-iodophenoxy)methyl]benzohydrazide has a molecular weight of 368.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63576085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).