3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide

C19H15IN2O3 — CID 3108609

IUPAC3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(I)c1
InChIInChI=1S/C19H15IN2O3/c20-16-7-3-6-15(10-16)19(24)22-21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyINNZGLMCBQENSI-UHFFFAOYSA-N
MW446.24 g/mol
LogP3.28
Rot. Bonds4

About 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide

3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide (PubChem CID 3108609) has the molecular formula C19H15IN2O3 and a molecular weight of 446.24 g/mol. Its IUPAC name is 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide.

Molecular Properties

Compound Name3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
PubChem CID3108609
Molecular FormulaC19H15IN2O3
Molecular Weight446.24 g/mol
Exact Mass446.01
IUPAC Name3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(I)c1
InChIInChI=1S/C19H15IN2O3/c20-16-7-3-6-15(10-16)19(24)22-21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyINNZGLMCBQENSI-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 4509301
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
3-chloro-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
CID 4940623
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The IUPAC name of 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide (CID 3108609) is 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide.
What is the SMILES notation for 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The canonical SMILES for 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
The InChIKey is INNZGLMCBQENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O3/c20-16-7-3-6-15(10-16)19(24)22-21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide?
3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide has a molecular weight of 446.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide is sourced from PubChem (CID 3108609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).