3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide

C17H19ClFN3O2 — CID 53181999

IUPAC3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide
SMILESCCc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1
InChIInChI=1S/C17H19ClFN3O2/c1-2-14-20-16(24-22-14)17(8-4-3-5-9-17)21-15(23)11-6-7-13(19)12(18)10-11/h6-7,10H,2-5,8-9H2,1H3,(H,21,23)
InChIKeyWFMXDHXECPSNRE-UHFFFAOYSA-N
MW351.81 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide

3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide (PubChem CID 53181999) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide
PubChem CID53181999
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide
SMILESCCc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1
InChIInChI=1S/C17H19ClFN3O2/c1-2-14-20-16(24-22-14)17(8-4-3-5-9-17)21-15(23)11-6-7-13(19)12(18)10-11/h6-7,10H,2-5,8-9H2,1H3,(H,21,23)
InChIKeyWFMXDHXECPSNRE-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide (CID 53181999) is 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide is CCc1noc(C2(NC(=O)c3ccc(F)c(Cl)c3)CCCCC2)n1.
What is the InChIKey of 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide?
The InChIKey is WFMXDHXECPSNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-2-14-20-16(24-22-14)17(8-4-3-5-9-17)21-15(23)11-6-7-13(19)12(18)10-11/h6-7,10H,2-5,8-9H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide?
3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide has a molecular weight of 351.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 53181999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).