N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide

C23H28ClN3O2 — CID 9127121

About N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 9127121) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
• PubChem CID: 9127121
• Molecular Formula: C23H28ClN3O2
• Molecular Weight: 413.95 g/mol
• Exact Mass: 413.19
• IUPAC Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
• SMILES: C[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cccc(Cl)c1
• InChI: InChI=1S/C23H28ClN3O2/c1-17(19-3-2-4-21(24)14-19)25-23(28)16-27-10-8-26(9-11-27)15-18-5-6-22-20(13-18)7-12-29-22/h2-6,13-14,17H,7-12,15-16H2,1H3,(H,25,28)/t17-/m1/s1
• InChIKey: UDICFMVYDQXVTB-QGZVFWFLSA-N
• XLogP: 3.27
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.95
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?

The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide (CID 9127121) is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide is C[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1)c1cccc(Cl)c1.

What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?

The InChIKey is UDICFMVYDQXVTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17(19-3-2-4-21(24)14-19)25-23(28)16-27-10-8-26(9-11-27)15-18-5-6-22-20(13-18)7-12-29-22/h2-6,13-14,17H,7-12,15-16H2,1H3,(H,25,28)/t17-/m1/s1.

What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide?

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 413.95 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9127121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).