2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide

C31H28F2N6O3 — CID 3190283

About 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3190283) has the molecular formula C31H28F2N6O3 and a molecular weight of 570.60 g/mol. Its IUPAC name is 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 3190283
• Molecular Formula: C31H28F2N6O3
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.22
• IUPAC Name: 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C31H28F2N6O3/c1-3-21-7-15-26(16-8-21)39(28(40)19-38-36-30(35-37-38)27-17-4-20(2)42-27)29(23-9-13-25(33)14-10-23)31(41)34-18-22-5-11-24(32)12-6-22/h4-17,29H,3,18-19H2,1-2H3,(H,34,41)
• InChIKey: HSAIBFVGJUIJBW-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 3190283) is 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide is CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)cc1.

What is the InChIKey of 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is HSAIBFVGJUIJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O3/c1-3-21-7-15-26(16-8-21)39(28(40)19-38-36-30(35-37-38)27-17-4-20(2)42-27)29(23-9-13-25(33)14-10-23)31(41)34-18-22-5-11-24(32)12-6-22/h4-17,29H,3,18-19H2,1-2H3,(H,34,41).

What are the key properties of 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide?

2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 570.60 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3190283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).