5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide

C19H16BrClFN3O2 — CID 112794809

About 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide

5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 112794809) has the molecular formula C19H16BrClFN3O2 and a molecular weight of 452.71 g/mol. Its IUPAC name is 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide
• PubChem CID: 112794809
• Molecular Formula: C19H16BrClFN3O2
• Molecular Weight: 452.71 g/mol
• Exact Mass: 451.01
• IUPAC Name: 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide
• SMILES: CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(Br)ccc1F
• InChI: InChI=1S/C19H16BrClFN3O2/c1-11(2)25(19(26)14-9-12(20)7-8-16(14)22)10-17-23-24-18(27-17)13-5-3-4-6-15(13)21/h3-9,11H,10H2,1-2H3
• InChIKey: PLPLEUMQIRIVGS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.71
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide?

The IUPAC name of 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide (CID 112794809) is 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide?

The canonical SMILES for 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(Br)ccc1F.

What is the InChIKey of 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide?

The InChIKey is PLPLEUMQIRIVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClFN3O2/c1-11(2)25(19(26)14-9-12(20)7-8-16(14)22)10-17-23-24-18(27-17)13-5-3-4-6-15(13)21/h3-9,11H,10H2,1-2H3.

What are the key properties of 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide?

5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 452.71 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 112794809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).