N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide

C20H19FIN3O3 — CID 22577189

IUPACN-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC1OC(c2ccccc2F)=NN1C(C)=O)c1ccc(I)cc1C
InChIInChI=1S/C20H19FIN3O3/c1-12-10-15(22)8-9-18(12)24(13(2)26)11-19-25(14(3)27)23-20(28-19)16-6-4-5-7-17(16)21/h4-10,19H,11H2,1-3H3
InChIKeyGHXASJHYDJNMAO-UHFFFAOYSA-N
MW495.29 g/mol
LogP3.66
Rot. Bonds4

About N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide

N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 22577189) has the molecular formula C20H19FIN3O3 and a molecular weight of 495.29 g/mol. Its IUPAC name is N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID22577189
Molecular FormulaC20H19FIN3O3
Molecular Weight495.29 g/mol
Exact Mass495.05
IUPAC NameN-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC1OC(c2ccccc2F)=NN1C(C)=O)c1ccc(I)cc1C
InChIInChI=1S/C20H19FIN3O3/c1-12-10-15(22)8-9-18(12)24(13(2)26)11-19-25(14(3)27)23-20(28-19)16-6-4-5-7-17(16)21/h4-10,19H,11H2,1-3H3
InChIKeyGHXASJHYDJNMAO-UHFFFAOYSA-N
XLogP3.66
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide (CID 22577189) is N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide is CC(=O)N(CC1OC(c2ccccc2F)=NN1C(C)=O)c1ccc(I)cc1C.
What is the InChIKey of N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is GHXASJHYDJNMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FIN3O3/c1-12-10-15(22)8-9-18(12)24(13(2)26)11-19-25(14(3)27)23-20(28-19)16-6-4-5-7-17(16)21/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide?
N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 495.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 22577189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).