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

C22H17F3N4O2 — CID 53155586

IUPACN-(3,4-difluorophenyl)-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)c(F)c1
InChIInChI=1S/C22H17F3N4O2/c1-12-9-17(22-27-21(28-31-22)14-3-5-15(23)6-4-14)13(2)29(12)11-20(30)26-16-7-8-18(24)19(25)10-16/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyJCNMRNRDAZZGDY-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.88
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide (PubChem CID 53155586) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide
PubChem CID53155586
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-(3,4-difluorophenyl)-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)c(F)c1
InChIInChI=1S/C22H17F3N4O2/c1-12-9-17(22-27-21(28-31-22)14-3-5-15(23)6-4-14)13(2)29(12)11-20(30)26-16-7-8-18(24)19(25)10-16/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyJCNMRNRDAZZGDY-UHFFFAOYSA-N
XLogP4.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide (CID 53155586) is N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-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)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The InChIKey is JCNMRNRDAZZGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-12-9-17(22-27-21(28-31-22)14-3-5-15(23)6-4-14)13(2)29(12)11-20(30)26-16-7-8-18(24)19(25)10-16/h3-10H,11H2,1-2H3,(H,26,30).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide has a molecular weight of 426.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,5-dimethylpyrrol-1-yl]acetamide is sourced from PubChem (CID 53155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).