4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C16H12IN3O2 — CID 55700547

IUPAC4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(I)cc2)no1
InChIInChI=1S/C16H12IN3O2/c1-10-18-15(20-22-10)13-4-2-3-5-14(13)19-16(21)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,21)
InChIKeyAXBQOPJGTIIBEG-UHFFFAOYSA-N
MW405.20 g/mol
LogP3.90
Rot. Bonds3

About 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 55700547) has the molecular formula C16H12IN3O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID55700547
Molecular FormulaC16H12IN3O2
Molecular Weight405.20 g/mol
Exact Mass405.00
IUPAC Name4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(I)cc2)no1
InChIInChI=1S/C16H12IN3O2/c1-10-18-15(20-22-10)13-4-2-3-5-14(13)19-16(21)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,21)
InChIKeyAXBQOPJGTIIBEG-UHFFFAOYSA-N
XLogP3.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700552
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55765878
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700622
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55765466
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 55765938
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55777466
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700493

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 55700547) is 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(I)cc2)no1.
What is the InChIKey of 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is AXBQOPJGTIIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O2/c1-10-18-15(20-22-10)13-4-2-3-5-14(13)19-16(21)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,21).
What are the key properties of 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 405.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 55700547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).