N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

C22H20ClNO4 — CID 31286269

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (PubChem CID 31286269) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
• PubChem CID: 31286269
• Molecular Formula: C22H20ClNO4
• Molecular Weight: 397.86 g/mol
• Exact Mass: 397.11
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
• SMILES: CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H20ClNO4/c1-24(14-18-7-9-19(28-18)16-3-5-17(23)6-4-16)22(25)13-15-2-8-20-21(12-15)27-11-10-26-20/h2-9,12H,10-11,13-14H2,1H3
• InChIKey: AJZLSRVVOAYNJJ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.86
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (CID 31286269) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccc2c(c1)OCCO2.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?

The InChIKey is AJZLSRVVOAYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-24(14-18-7-9-19(28-18)16-3-5-17(23)6-4-16)22(25)13-15-2-8-20-21(12-15)27-11-10-26-20/h2-9,12H,10-11,13-14H2,1H3.

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide has a molecular weight of 397.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is sourced from PubChem (CID 31286269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).