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

C26H22FN5O4 — CID 3856753

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

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3856753) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3856753
• Molecular Formula: C26H22FN5O4
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.17
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)o1
• InChI: InChI=1S/C26H22FN5O4/c1-17-8-13-23(36-17)25(26(34)28-15-20-5-4-14-35-20)32(19-11-9-18(27)10-12-19)24(33)16-31-22-7-3-2-6-21(22)29-30-31/h2-14,25H,15-16H2,1H3,(H,28,34)
• InChIKey: PILUZIZVQJSUNS-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 3856753) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

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

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)o1.

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

The InChIKey is PILUZIZVQJSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4/c1-17-8-13-23(36-17)25(26(34)28-15-20-5-4-14-35-20)32(19-11-9-18(27)10-12-19)24(33)16-31-22-7-3-2-6-21(22)29-30-31/h2-14,25H,15-16H2,1H3,(H,28,34).

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

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 487.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3856753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).