2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C26H26FN5O3 — CID 3178173

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3178173) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3178173
• Molecular Formula: C26H26FN5O3
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.20
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)o1
• InChI: InChI=1S/C26H26FN5O3/c1-17-10-15-23(35-17)25(26(34)28-19-6-2-3-7-19)32(20-13-11-18(27)12-14-20)24(33)16-31-22-9-5-4-8-21(22)29-30-31/h4-5,8-15,19,25H,2-3,6-7,16H2,1H3,(H,28,34)
• InChIKey: YJBKNLAOQKMSNQ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 3178173) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)o1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is YJBKNLAOQKMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-17-10-15-23(35-17)25(26(34)28-19-6-2-3-7-19)32(20-13-11-18(27)12-14-20)24(33)16-31-22-9-5-4-8-21(22)29-30-31/h4-5,8-15,19,25H,2-3,6-7,16H2,1H3,(H,28,34).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 475.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3178173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).