4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide

C29H30ClNO6 — CID 10256261

About 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide

4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide (PubChem CID 10256261) has the molecular formula C29H30ClNO6 and a molecular weight of 524.01 g/mol. Its IUPAC name is 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide.

Molecular Properties

• Compound Name: 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
• PubChem CID: 10256261
• Molecular Formula: C29H30ClNO6
• Molecular Weight: 524.01 g/mol
• Exact Mass: 523.18
• IUPAC Name: 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
• SMILES: COc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOc3ccc(Cl)cc3)cc1)OCCC2=O
• InChI: InChI=1S/C29H30ClNO6/c1-34-26-15-14-24-25(32)16-19-37-28(24)27(26)31-29(33)20-6-10-22(11-7-20)35-17-4-2-3-5-18-36-23-12-8-21(30)9-13-23/h6-15H,2-5,16-19H2,1H3,(H,31,33)
• InChIKey: QXQCIDIDDFHOQN-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.01
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?

The IUPAC name of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide (CID 10256261) is 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide.

What is the SMILES notation for 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?

The canonical SMILES for 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide is COc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOc3ccc(Cl)cc3)cc1)OCCC2=O.

What is the InChIKey of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?

The InChIKey is QXQCIDIDDFHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClNO6/c1-34-26-15-14-24-25(32)16-19-37-28(24)27(26)31-29(33)20-6-10-22(11-7-20)35-17-4-2-3-5-18-36-23-12-8-21(30)9-13-23/h6-15H,2-5,16-19H2,1H3,(H,31,33).

What are the key properties of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?

4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide has a molecular weight of 524.01 g/mol, XLogP of 6.58, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-methoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide is sourced from PubChem (CID 10256261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).