4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide

C19H16IN3O2 — CID 27564835

IUPAC4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
SMILESO=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(I)cc1
InChIInChI=1S/C19H16IN3O2/c20-16-8-6-15(7-9-16)19(24)21-12-13-25-18-11-10-17(22-23-18)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyVOLHOQNLMMDNDX-UHFFFAOYSA-N
MW445.26 g/mol
LogP3.56
Rot. Bonds6

About 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide

4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide (PubChem CID 27564835) has the molecular formula C19H16IN3O2 and a molecular weight of 445.26 g/mol. Its IUPAC name is 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
PubChem CID27564835
Molecular FormulaC19H16IN3O2
Molecular Weight445.26 g/mol
Exact Mass445.03
IUPAC Name4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
SMILESO=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(I)cc1
InChIInChI=1S/C19H16IN3O2/c20-16-8-6-15(7-9-16)19(24)21-12-13-25-18-11-10-17(22-23-18)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24)
InChIKeyVOLHOQNLMMDNDX-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
CID 110495219
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-9H-xanthene-9-carboxamide
CID 22585389
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577
N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26845169
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246750
2-(6-phenylpyridazin-3-yl)oxyethanamine
CID 52903526
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide (CID 27564835) is 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide is O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide?
The InChIKey is VOLHOQNLMMDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN3O2/c20-16-8-6-15(7-9-16)19(24)21-12-13-25-18-11-10-17(22-23-18)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide?
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide has a molecular weight of 445.26 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide is sourced from PubChem (CID 27564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).