N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide

C27H25F3N6O2 — CID 3178935

About N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide

N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide (PubChem CID 3178935) has the molecular formula C27H25F3N6O2 and a molecular weight of 522.53 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide
• PubChem CID: 3178935
• Molecular Formula: C27H25F3N6O2
• Molecular Weight: 522.53 g/mol
• Exact Mass: 522.20
• IUPAC Name: N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide
• SMILES: CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F
• InChI: InChI=1S/C27H25F3N6O2/c1-27(2,3)31-26(38)24(17-8-12-19(28)13-9-17)36(22-7-5-4-6-21(22)30)23(37)16-35-33-25(32-34-35)18-10-14-20(29)15-11-18/h4-15,24H,16H2,1-3H3,(H,31,38)
• InChIKey: ZGGFMFLXHFZCIV-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.53
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide (CID 3178935) is N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide is CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F.

What is the InChIKey of N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide?

The InChIKey is ZGGFMFLXHFZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O2/c1-27(2,3)31-26(38)24(17-8-12-19(28)13-9-17)36(22-7-5-4-6-21(22)30)23(37)16-35-33-25(32-34-35)18-10-14-20(29)15-11-18/h4-15,24H,16H2,1-3H3,(H,31,38).

What are the key properties of N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide?

N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide has a molecular weight of 522.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).