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

C16H11FIN3O2 — CID 55766056

IUPAC4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(F)cc2I)no1
InChIInChI=1S/C16H11FIN3O2/c1-9-19-15(21-23-9)12-4-2-3-5-14(12)20-16(22)11-7-6-10(17)8-13(11)18/h2-8H,1H3,(H,20,22)
InChIKeyQJKOGMBSDVXLJW-UHFFFAOYSA-N
MW423.19 g/mol
LogP4.04
Rot. Bonds3

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

4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 55766056) has the molecular formula C16H11FIN3O2 and a molecular weight of 423.19 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID55766056
Molecular FormulaC16H11FIN3O2
Molecular Weight423.19 g/mol
Exact Mass422.99
IUPAC Name4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(F)cc2I)no1
InChIInChI=1S/C16H11FIN3O2/c1-9-19-15(21-23-9)12-4-2-3-5-14(12)20-16(22)11-7-6-10(17)8-13(11)18/h2-8H,1H3,(H,20,22)
InChIKeyQJKOGMBSDVXLJW-UHFFFAOYSA-N
XLogP4.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
CID 55872174
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide
CID 55765930
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
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55700434
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
4-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700552
1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55777432

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 55766056) is 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(F)cc2I)no1.
What is the InChIKey of 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is QJKOGMBSDVXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FIN3O2/c1-9-19-15(21-23-9)12-4-2-3-5-14(12)20-16(22)11-7-6-10(17)8-13(11)18/h2-8H,1H3,(H,20,22).
What are the key properties of 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 423.19 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 55766056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).