3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide

C24H29FN4O3 — CID 55471071

About 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide

3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide (PubChem CID 55471071) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide.

Molecular Properties

• Compound Name: 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
• PubChem CID: 55471071
• Molecular Formula: C24H29FN4O3
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.22
• IUPAC Name: 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
• SMILES: NC(=O)CCN(C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(F)cc1
• InChI: InChI=1S/C24H29FN4O3/c25-20-2-4-21(5-3-20)29(9-7-23(26)30)24(31)17-28-12-10-27(11-13-28)16-18-1-6-22-19(15-18)8-14-32-22/h1-6,15H,7-14,16-17H2,(H2,26,30)
• InChIKey: QLJUWRZVLMADLF-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 79.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide?

The IUPAC name of 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide (CID 55471071) is 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide.

What is the SMILES notation for 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide?

The canonical SMILES for 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide is NC(=O)CCN(C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(F)cc1.

What is the InChIKey of 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide?

The InChIKey is QLJUWRZVLMADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-20-2-4-21(5-3-20)29(9-7-23(26)30)24(31)17-28-12-10-27(11-13-28)16-18-1-6-22-19(15-18)8-14-32-22/h1-6,15H,7-14,16-17H2,(H2,26,30).

What are the key properties of 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide?

3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide has a molecular weight of 440.52 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 55471071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).