[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C24H24Cl2N2O3 — CID 19325652

About [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325652) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
• PubChem CID: 19325652
• Molecular Formula: C24H24Cl2N2O3
• Molecular Weight: 459.37 g/mol
• Exact Mass: 458.12
• IUPAC Name: [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
• SMILES: Cc1ccccc1CN1CCN(C(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)CC1
• InChI: InChI=1S/C24H24Cl2N2O3/c1-17-5-2-3-6-18(17)15-27-11-13-28(14-12-27)24(29)22-10-9-19(31-22)16-30-21-8-4-7-20(25)23(21)26/h2-10H,11-16H2,1H3
• InChIKey: DBUXEIUVXBPPLQ-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.37
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 19325652) is [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccccc1CN1CCN(C(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)CC1.

What is the InChIKey of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?

The InChIKey is DBUXEIUVXBPPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-17-5-2-3-6-18(17)15-27-11-13-28(14-12-27)24(29)22-10-9-19(31-22)16-30-21-8-4-7-20(25)23(21)26/h2-10H,11-16H2,1H3.

What are the key properties of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?

[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 459.37 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).