2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide

C21H27BrN2O3 — CID 26834779

About 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide

2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 26834779) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
• PubChem CID: 26834779
• Molecular Formula: C21H27BrN2O3
• Molecular Weight: 435.36 g/mol
• Exact Mass: 434.12
• IUPAC Name: 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
• SMILES: Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCC(C)CC2)o1
• InChI: InChI=1S/C21H27BrN2O3/c1-15-9-11-24(12-10-15)19(20-8-3-16(2)27-20)13-23-21(25)14-26-18-6-4-17(22)5-7-18/h3-8,15,19H,9-14H2,1-2H3,(H,23,25)/t19-/m1/s1
• InChIKey: BPAIWCSHEBDAMH-LJQANCHMSA-N
• XLogP: 4.32
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.36
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide?

The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide (CID 26834779) is 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide is Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCC(C)CC2)o1.

What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide?

The InChIKey is BPAIWCSHEBDAMH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-15-9-11-24(12-10-15)19(20-8-3-16(2)27-20)13-23-21(25)14-26-18-6-4-17(22)5-7-18/h3-8,15,19H,9-14H2,1-2H3,(H,23,25)/t19-/m1/s1.

What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide?

2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 435.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 26834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).