5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide

C22H17Cl2N3O3 — CID 16561427

About 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 16561427) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 16561427
• Molecular Formula: C22H17Cl2N3O3
• Molecular Weight: 442.30 g/mol
• Exact Mass: 441.06
• IUPAC Name: 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)oc2ccc(Cl)cc12
• InChI: InChI=1S/C22H17Cl2N3O3/c1-12-16-10-13(23)6-9-18(16)29-20(12)22(28)27(14-7-8-14)11-19-25-26-21(30-19)15-4-2-3-5-17(15)24/h2-6,9-10,14H,7-8,11H2,1H3
• InChIKey: YFTSSHJFTXILCX-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.30
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide (CID 16561427) is 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)oc2ccc(Cl)cc12.

What is the InChIKey of 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is YFTSSHJFTXILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c1-12-16-10-13(23)6-9-18(16)29-20(12)22(28)27(14-7-8-14)11-19-25-26-21(30-19)15-4-2-3-5-17(15)24/h2-6,9-10,14H,7-8,11H2,1H3.

What are the key properties of 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?

5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16561427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).