2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

C25H26Cl2F2N2O4 — CID 144811716

About 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (PubChem CID 144811716) has the molecular formula C25H26Cl2F2N2O4 and a molecular weight of 527.40 g/mol. Its IUPAC name is 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

• Compound Name: 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
• PubChem CID: 144811716
• Molecular Formula: C25H26Cl2F2N2O4
• Molecular Weight: 527.40 g/mol
• Exact Mass: 526.12
• IUPAC Name: 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
• SMILES: NC(=O)C(F)(F)c1cc2c(Cl)c(Cl)ccc2o1.c1cc2c(cc1CCCN1CCCC1)OCCO2
• InChI: InChI=1S/C15H21NO2.C10H5Cl2F2NO2/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;11-5-1-2-6-4(8(5)12)3-7(17-6)10(13,14)9(15)16/h5-6,12H,1-4,7-11H2;1-3H,(H2,15,16)
• InChIKey: RYWKYFSCEMWKAT-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 77.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.40
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The IUPAC name of 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (CID 144811716) is 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

What is the SMILES notation for 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The canonical SMILES for 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is NC(=O)C(F)(F)c1cc2c(Cl)c(Cl)ccc2o1.c1cc2c(cc1CCCN1CCCC1)OCCO2.

What is the InChIKey of 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The InChIKey is RYWKYFSCEMWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C10H5Cl2F2NO2/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;11-5-1-2-6-4(8(5)12)3-7(17-6)10(13,14)9(15)16/h5-6,12H,1-4,7-11H2;1-3H,(H2,15,16).

What are the key properties of 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine has a molecular weight of 527.40 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 144811716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).