4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C25H22FN7O4 — CID 3229782

About 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 3229782) has the molecular formula C25H22FN7O4 and a molecular weight of 503.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
• PubChem CID: 3229782
• Molecular Formula: C25H22FN7O4
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.17
• IUPAC Name: 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1)c1ccc(F)cc1
• InChI: InChI=1S/C25H22FN7O4/c26-18-9-7-17(8-10-18)24(35)27-20-5-2-1-4-19(20)23-28-30-33(29-23)16-22(34)31-11-13-32(14-12-31)25(36)21-6-3-15-37-21/h1-10,15H,11-14,16H2,(H,27,35)
• InChIKey: SRWOQFAOVWOSTH-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 126.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.49
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?

The IUPAC name of 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 3229782) is 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?

The canonical SMILES for 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?

The InChIKey is SRWOQFAOVWOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O4/c26-18-9-7-17(8-10-18)24(35)27-20-5-2-1-4-19(20)23-28-30-33(29-23)16-22(34)31-11-13-32(14-12-31)25(36)21-6-3-15-37-21/h1-10,15H,11-14,16H2,(H,27,35).

What are the key properties of 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?

4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 503.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 3229782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).