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

C21H13F2N3O2 — CID 39867075

IUPAC2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccccc1F
InChIInChI=1S/C21H13F2N3O2/c22-15-9-5-13(6-10-15)19-25-21(28-26-19)14-7-11-16(12-8-14)24-20(27)17-3-1-2-4-18(17)23/h1-12H,(H,24,27)
InChIKeyAAMAKQWGIWXQJX-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.93
Rot. Bonds4

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

2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 39867075) has the molecular formula C21H13F2N3O2 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID39867075
Molecular FormulaC21H13F2N3O2
Molecular Weight377.35 g/mol
Exact Mass377.10
IUPAC Name2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccccc1F
InChIInChI=1S/C21H13F2N3O2/c22-15-9-5-13(6-10-15)19-25-21(28-26-19)14-7-11-16(12-8-14)24-20(27)17-3-1-2-4-18(17)23/h1-12H,(H,24,27)
InChIKeyAAMAKQWGIWXQJX-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203267
2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 1291267
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867524
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 39867075) is 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is AAMAKQWGIWXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2/c22-15-9-5-13(6-10-15)19-25-21(28-26-19)14-7-11-16(12-8-14)24-20(27)17-3-1-2-4-18(17)23/h1-12H,(H,24,27).
What are the key properties of 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 377.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 39867075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).