2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C13H10Cl2F3N3O2 — CID 90648344

IUPAC2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c14-8-2-1-7(5-9(8)15)6-11(22)19-4-3-10-20-12(23-21-10)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,22)
InChIKeyCQCPWJXXWPSVLR-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.30
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 90648344) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID90648344
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O2/c14-8-2-1-7(5-9(8)15)6-11(22)19-4-3-10-20-12(23-21-10)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,22)
InChIKeyCQCPWJXXWPSVLR-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 90648344) is 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is CQCPWJXXWPSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c14-8-2-1-7(5-9(8)15)6-11(22)19-4-3-10-20-12(23-21-10)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 368.14 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 90648344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).