4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide

C14H11I3N2O2 — CID 63574401

IUPAC4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2c(I)cc(I)cc2I)cc1
InChIInChI=1S/C14H11I3N2O2/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(20)19-18/h1-6H,7,18H2,(H,19,20)
InChIKeyCUKOUPICLSAEAL-UHFFFAOYSA-N
MW619.97 g/mol
LogP3.68
Rot. Bonds4

About 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide

4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide (PubChem CID 63574401) has the molecular formula C14H11I3N2O2 and a molecular weight of 619.97 g/mol. Its IUPAC name is 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
PubChem CID63574401
Molecular FormulaC14H11I3N2O2
Molecular Weight619.97 g/mol
Exact Mass619.80
IUPAC Name4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2c(I)cc(I)cc2I)cc1
InChIInChI=1S/C14H11I3N2O2/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(20)19-18/h1-6H,7,18H2,(H,19,20)
InChIKeyCUKOUPICLSAEAL-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.97
LogP ≤ 53.68
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

4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
2-(2,4,6-triiodophenoxy)acetohydrazide
CID 63576981
4-(naphthalen-1-yloxymethyl)benzohydrazide
CID 948904
2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
2-bromo-5-[(2,4,6-triiodophenoxy)methyl]aniline
CID 115557500
4-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63679637
N-[(E)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380134

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide (CID 63574401) is 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2c(I)cc(I)cc2I)cc1.
What is the InChIKey of 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide?
The InChIKey is CUKOUPICLSAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11I3N2O2/c15-10-5-11(16)13(12(17)6-10)21-7-8-1-3-9(4-2-8)14(20)19-18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide?
4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide has a molecular weight of 619.97 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63574401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).