N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C20H18ClNO5 — CID 78867735

About N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 78867735) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 78867735
• Molecular Formula: C20H18ClNO5
• Molecular Weight: 387.82 g/mol
• Exact Mass: 387.09
• IUPAC Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
• SMILES: COc1ccc2oc(C(=O)NCc3cc(Cl)c4c(c3)OCCO4)c(C)c2c1
• InChI: InChI=1S/C20H18ClNO5/c1-11-14-9-13(24-2)3-4-16(14)27-18(11)20(23)22-10-12-7-15(21)19-17(8-12)25-5-6-26-19/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)
• InChIKey: JWAIITJVIOUKFM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 69.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.82
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 78867735) is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCc3cc(Cl)c4c(c3)OCCO4)c(C)c2c1.

What is the InChIKey of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is JWAIITJVIOUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-11-14-9-13(24-2)3-4-16(14)27-18(11)20(23)22-10-12-7-15(21)19-17(8-12)25-5-6-26-19/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23).

What are the key properties of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78867735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).