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

C16H11BrFN3O2 — CID 110322615

IUPAC2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2F)no1)c1ccccc1Br
InChIInChI=1S/C16H11BrFN3O2/c17-12-7-3-1-5-10(12)16(22)19-9-14-20-15(21-23-14)11-6-2-4-8-13(11)18/h1-8H,9H2,(H,19,22)
InChIKeyCGVDNANQEUKVLE-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.57
Rot. Bonds4

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

2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 110322615) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID110322615
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2F)no1)c1ccccc1Br
InChIInChI=1S/C16H11BrFN3O2/c17-12-7-3-1-5-10(12)16(22)19-9-14-20-15(21-23-14)11-6-2-4-8-13(11)18/h1-8H,9H2,(H,19,22)
InChIKeyCGVDNANQEUKVLE-UHFFFAOYSA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
3-cyclopentyl-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46263221
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62716626
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 110322615) is 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is O=C(NCc1nc(-c2ccccc2F)no1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is CGVDNANQEUKVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-12-7-3-1-5-10(12)16(22)19-9-14-20-15(21-23-14)11-6-2-4-8-13(11)18/h1-8H,9H2,(H,19,22).
What are the key properties of 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 376.19 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 110322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).