N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide

C17H13F2N3O2 — CID 25284228

IUPACN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-14-21-22-17(24-14)10-6-8-11(9-7-10)20-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,23)
InChIKeyPCHDDMMHYWIBJY-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide

N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 25284228) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide
PubChem CID25284228
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-14-21-22-17(24-14)10-6-8-11(9-7-10)20-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,23)
InChIKeyPCHDDMMHYWIBJY-UHFFFAOYSA-N
XLogP3.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide (CID 25284228) is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide is CCc1nnc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)o1.
What is the InChIKey of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is PCHDDMMHYWIBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-2-14-21-22-17(24-14)10-6-8-11(9-7-10)20-16(23)15-12(18)4-3-5-13(15)19/h3-9H,2H2,1H3,(H,20,23).
What are the key properties of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide?
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 329.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 25284228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).