1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

C19H18Cl2N2O3 — CID 113217694

About 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (PubChem CID 113217694) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
• PubChem CID: 113217694
• Molecular Formula: C19H18Cl2N2O3
• Molecular Weight: 393.27 g/mol
• Exact Mass: 392.07
• IUPAC Name: 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
• SMILES: O=C(NCCc1c2c(cc3c1OCC3)OCC2)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C19H18Cl2N2O3/c20-12-1-2-15(21)16(10-12)23-19(24)22-6-3-14-13-5-8-25-17(13)9-11-4-7-26-18(11)14/h1-2,9-10H,3-8H2,(H2,22,23,24)
• InChIKey: GXQSWLMFMONUAP-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.27
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (CID 113217694) is 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.

What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is O=C(NCCc1c2c(cc3c1OCC3)OCC2)Nc1cc(Cl)ccc1Cl.

What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

The InChIKey is GXQSWLMFMONUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-12-1-2-15(21)16(10-12)23-19(24)22-6-3-14-13-5-8-25-17(13)9-11-4-7-26-18(11)14/h1-2,9-10H,3-8H2,(H2,22,23,24).

What are the key properties of 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?

1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea has a molecular weight of 393.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is sourced from PubChem (CID 113217694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).