N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide

C25H19ClN2O5 — CID 110827753

About N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide

N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 110827753) has the molecular formula C25H19ClN2O5 and a molecular weight of 462.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
• PubChem CID: 110827753
• Molecular Formula: C25H19ClN2O5
• Molecular Weight: 462.89 g/mol
• Exact Mass: 462.10
• IUPAC Name: N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
• SMILES: O=C(CNc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C25H19ClN2O5/c26-16-4-3-5-17(13-16)28-25(30)24-23(18-6-1-2-7-20(18)33-24)27-14-19(29)15-8-9-21-22(12-15)32-11-10-31-21/h1-9,12-13,27H,10-11,14H2,(H,28,30)
• InChIKey: SAIIDFJSTHRSKU-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.89
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide (CID 110827753) is N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide is O=C(CNc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide?

The InChIKey is SAIIDFJSTHRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O5/c26-16-4-3-5-17(13-16)28-25(30)24-23(18-6-1-2-7-20(18)33-24)27-14-19(29)15-8-9-21-22(12-15)32-11-10-31-21/h1-9,12-13,27H,10-11,14H2,(H,28,30).

What are the key properties of N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide?

N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 462.89 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110827753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).