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

C38H48ClNO6 — CID 10077999

IUPAC4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOc3ccc(Cl)cc3)cc1)OCCC2=O
InChIInChI=1S/C38H48ClNO6/c1-2-3-4-5-6-7-8-13-27-45-35-23-22-33-34(41)24-28-46-37(33)36(35)40-38(42)29-14-18-31(19-15-29)43-25-11-9-10-12-26-44-32-20-16-30(39)17-21-32/h14-23H,2-13,24-28H2,1H3,(H,40,42)
InChIKeyWKEJEHIMCKACPV-UHFFFAOYSA-N
MW650.26 g/mol
LogP10.10
Rot. Bonds21

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

4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide (PubChem CID 10077999) has the molecular formula C38H48ClNO6 and a molecular weight of 650.26 g/mol. Its IUPAC name is 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide.

Molecular Properties

Compound Name4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
PubChem CID10077999
Molecular FormulaC38H48ClNO6
Molecular Weight650.26 g/mol
Exact Mass649.32
IUPAC Name4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide
SMILESCCCCCCCCCCOc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOc3ccc(Cl)cc3)cc1)OCCC2=O
InChIInChI=1S/C38H48ClNO6/c1-2-3-4-5-6-7-8-13-27-45-35-23-22-33-34(41)24-28-46-37(33)36(35)40-38(42)29-14-18-31(19-15-29)43-25-11-9-10-12-26-44-32-20-16-30(39)17-21-32/h14-23H,2-13,24-28H2,1H3,(H,40,42)
InChIKeyWKEJEHIMCKACPV-UHFFFAOYSA-N
XLogP10.10
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.26
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The IUPAC name of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide (CID 10077999) is 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide.
What is the SMILES notation for 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The canonical SMILES for 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide is CCCCCCCCCCOc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOc3ccc(Cl)cc3)cc1)OCCC2=O.
What is the InChIKey of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The InChIKey is WKEJEHIMCKACPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48ClNO6/c1-2-3-4-5-6-7-8-13-27-45-35-23-22-33-34(41)24-28-46-37(33)36(35)40-38(42)29-14-18-31(19-15-29)43-25-11-9-10-12-26-44-32-20-16-30(39)17-21-32/h14-23H,2-13,24-28H2,1H3,(H,40,42).
What are the key properties of 4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
4-[6-(4-chlorophenoxy)hexoxy]-N-(7-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide has a molecular weight of 650.26 g/mol, XLogP of 10.10, 21 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-decoxy-4-oxo-2,3-dihydrochromen-8-yl)benzamide is sourced from PubChem (CID 10077999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).