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

C17H13F2N3O2 — CID 25284229

IUPACN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-15-21-22-17(24-15)10-3-6-12(7-4-10)20-16(23)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,20,23)
InChIKeyWPNJWBTYXXKPOU-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.83
Rot. Bonds4

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

N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 25284229) 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]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide
PubChem CID25284229
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESCCc1nnc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)o1
InChIInChI=1S/C17H13F2N3O2/c1-2-15-21-22-17(24-15)10-3-6-12(7-4-10)20-16(23)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,20,23)
InChIKeyWPNJWBTYXXKPOU-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]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide (CID 25284229) is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide is CCc1nnc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)o1.
What is the InChIKey of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is WPNJWBTYXXKPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-2-15-21-22-17(24-15)10-3-6-12(7-4-10)20-16(23)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,20,23).
What are the key properties of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-difluorobenzamide?
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3,4-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]-3,4-difluorobenzamide is sourced from PubChem (CID 25284229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).