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

C17H13ClFN3O2 — CID 68868155

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(C(C(N)=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C17H13ClFN3O2/c1-9-21-17(24-22-9)15(16(20)23)11-4-2-10(3-5-11)12-6-7-14(19)13(18)8-12/h2-8,15H,1H3,(H2,20,23)
InChIKeyNDNLSGGBMJGFHU-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.45
Rot. Bonds4

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

2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 68868155) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID68868155
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(C(C(N)=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C17H13ClFN3O2/c1-9-21-17(24-22-9)15(16(20)23)11-4-2-10(3-5-11)12-6-7-14(19)13(18)8-12/h2-8,15H,1H3,(H2,20,23)
InChIKeyNDNLSGGBMJGFHU-UHFFFAOYSA-N
XLogP3.45
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 68868155) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(C(C(N)=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)n1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is NDNLSGGBMJGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-9-21-17(24-22-9)15(16(20)23)11-4-2-10(3-5-11)12-6-7-14(19)13(18)8-12/h2-8,15H,1H3,(H2,20,23).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 345.76 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 68868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).