2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C17H13F2N3O2 — CID 110323403

IUPAC2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2F)no1)c1ccccc1F
InChIInChI=1S/C17H13F2N3O2/c18-13-7-3-1-5-11(13)16-21-15(24-22-16)9-10-20-17(23)12-6-2-4-8-14(12)19/h1-8H,9-10H2,(H,20,23)
InChIKeySCENHMUEFYBCAG-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 110323403) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID110323403
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2F)no1)c1ccccc1F
InChIInChI=1S/C17H13F2N3O2/c18-13-7-3-1-5-11(13)16-21-15(24-22-16)9-10-20-17(23)12-6-2-4-8-14(12)19/h1-8H,9-10H2,(H,20,23)
InChIKeySCENHMUEFYBCAG-UHFFFAOYSA-N
XLogP2.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 110322615
benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110323449
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 110323403) is 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2F)no1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is SCENHMUEFYBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-13-7-3-1-5-11(13)16-21-15(24-22-16)9-10-20-17(23)12-6-2-4-8-14(12)19/h1-8H,9-10H2,(H,20,23).
What are the key properties of 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 110323403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).