1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

C19H19ClN2O3 — CID 113217817

About 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (PubChem CID 113217817) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
• PubChem CID: 113217817
• Molecular Formula: C19H19ClN2O3
• Molecular Weight: 358.83 g/mol
• Exact Mass: 358.11
• IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
• SMILES: Cc1cc(Cl)ccc1NC(=O)NCc1c2c(cc3c1OCC3)OCC2
• InChI: InChI=1S/C19H19ClN2O3/c1-11-8-13(20)2-3-16(11)22-19(23)21-10-15-14-5-7-24-17(14)9-12-4-6-25-18(12)15/h2-3,8-9H,4-7,10H2,1H3,(H2,21,22,23)
• InChIKey: MVYLZIQOHSDZFW-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.83
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?

The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (CID 113217817) is 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?

The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is Cc1cc(Cl)ccc1NC(=O)NCc1c2c(cc3c1OCC3)OCC2.

What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?

The InChIKey is MVYLZIQOHSDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-11-8-13(20)2-3-16(11)22-19(23)21-10-15-14-5-7-24-17(14)9-12-4-6-25-18(12)15/h2-3,8-9H,4-7,10H2,1H3,(H2,21,22,23).

What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?

1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea has a molecular weight of 358.83 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is sourced from PubChem (CID 113217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).