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

C22H15ClFN3O3 — CID 39867524

IUPAC2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C22H15ClFN3O3/c23-18-3-1-2-4-19(18)29-13-20(28)25-17-11-7-15(8-12-17)22-26-21(27-30-22)14-5-9-16(24)10-6-14/h1-12H,13H2,(H,25,28)
InChIKeyDISQMGZCBDEFEO-UHFFFAOYSA-N
MW423.83 g/mol
LogP5.21
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 39867524) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID39867524
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C22H15ClFN3O3/c23-18-3-1-2-4-19(18)29-13-20(28)25-17-11-7-15(8-12-17)22-26-21(27-30-22)14-5-9-16(24)10-6-14/h1-12H,13H2,(H,25,28)
InChIKeyDISQMGZCBDEFEO-UHFFFAOYSA-N
XLogP5.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 1291267
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 39867524) is 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is O=C(COc1ccccc1Cl)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is DISQMGZCBDEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c23-18-3-1-2-4-19(18)29-13-20(28)25-17-11-7-15(8-12-17)22-26-21(27-30-22)14-5-9-16(24)10-6-14/h1-12H,13H2,(H,25,28).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 423.83 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 39867524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).