4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide

C16H16Cl2N2O3 — CID 167829951

About 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide (PubChem CID 167829951) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
• PubChem CID: 167829951
• Molecular Formula: C16H16Cl2N2O3
• Molecular Weight: 355.22 g/mol
• Exact Mass: 354.05
• IUPAC Name: 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(Cl)[nH]1)OC(C)C2
• InChI: InChI=1S/C16H16Cl2N2O3/c1-3-22-14-5-9-4-8(2)23-13(9)7-11(14)20-16(21)12-6-10(17)15(18)19-12/h5-8,19H,3-4H2,1-2H3,(H,20,21)
• InChIKey: OXFLYZKYAVGDST-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 63.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.22
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide?

The IUPAC name of 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide (CID 167829951) is 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide is CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(Cl)[nH]1)OC(C)C2.

What is the InChIKey of 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide?

The InChIKey is OXFLYZKYAVGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-3-22-14-5-9-4-8(2)23-13(9)7-11(14)20-16(21)12-6-10(17)15(18)19-12/h5-8,19H,3-4H2,1-2H3,(H,20,21).

What are the key properties of 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide?

4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167829951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).