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

C20H18ClFN4O2 — CID 71794533

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

5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 71794533) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
• PubChem CID: 71794533
• Molecular Formula: C20H18ClFN4O2
• Molecular Weight: 400.84 g/mol
• Exact Mass: 400.11
• IUPAC Name: 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
• SMILES: O=C(NC1CCN(Cc2noc(-c3ccccc3)n2)C1)c1cc(Cl)ccc1F
• InChI: InChI=1S/C20H18ClFN4O2/c21-14-6-7-17(22)16(10-14)19(27)23-15-8-9-26(11-15)12-18-24-20(28-25-18)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,23,27)
• InChIKey: WVPCKQQUQKJMBC-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.84
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?

The IUPAC name of 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide (CID 71794533) is 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide.

What is the SMILES notation for 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?

The canonical SMILES for 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(Cc2noc(-c3ccccc3)n2)C1)c1cc(Cl)ccc1F.

What is the InChIKey of 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?

The InChIKey is WVPCKQQUQKJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-14-6-7-17(22)16(10-14)19(27)23-15-8-9-26(11-15)12-18-24-20(28-25-18)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,23,27).

What are the key properties of 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?

5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 400.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71794533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).