N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide

C22H18F2N4O2 — CID 53155581

IUPACN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O2/c1-13-11-19(22-26-21(27-30-22)15-3-5-16(23)6-4-15)14(2)28(13)12-20(29)25-18-9-7-17(24)8-10-18/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyZUZGTJFEQHJXQE-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.74
Rot. Bonds5

About N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide (PubChem CID 53155581) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
PubChem CID53155581
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O2/c1-13-11-19(22-26-21(27-30-22)15-3-5-16(23)6-4-15)14(2)28(13)12-20(29)25-18-9-7-17(24)8-10-18/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyZUZGTJFEQHJXQE-UHFFFAOYSA-N
XLogP4.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide (CID 53155581) is N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide is Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The InChIKey is ZUZGTJFEQHJXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-11-19(22-26-21(27-30-22)15-3-5-16(23)6-4-15)14(2)28(13)12-20(29)25-18-9-7-17(24)8-10-18/h3-11H,12H2,1-2H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide is sourced from PubChem (CID 53155581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).