3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide

C29H26Cl3NO5 — CID 18848207

About 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide

3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide (PubChem CID 18848207) has the molecular formula C29H26Cl3NO5 and a molecular weight of 574.89 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
• PubChem CID: 18848207
• Molecular Formula: C29H26Cl3NO5
• Molecular Weight: 574.89 g/mol
• Exact Mass: 573.09
• IUPAC Name: 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
• SMILES: CCCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)cc1Cl
• InChI: InChI=1S/C29H26Cl3NO5/c1-3-4-5-8-13-37-27-21(31)15-18(16-22(27)32)29(35)33-25-19-9-6-7-10-23(19)38-28(25)26(34)17-11-12-24(36-2)20(30)14-17/h6-7,9-12,14-16H,3-5,8,13H2,1-2H3,(H,33,35)
• InChIKey: IUAINIQZOJCAOY-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 77.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.89
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide?

The IUPAC name of 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide (CID 18848207) is 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide?

The canonical SMILES for 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide is CCCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)cc1Cl.

What is the InChIKey of 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide?

The InChIKey is IUAINIQZOJCAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl3NO5/c1-3-4-5-8-13-37-27-21(31)15-18(16-22(27)32)29(35)33-25-19-9-6-7-10-23(19)38-28(25)26(34)17-11-12-24(36-2)20(30)14-17/h6-7,9-12,14-16H,3-5,8,13H2,1-2H3,(H,33,35).

What are the key properties of 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide?

3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide has a molecular weight of 574.89 g/mol, XLogP of 8.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide is sourced from PubChem (CID 18848207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).