N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C26H26FNO6 — CID 55665778

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H26FNO6/c1-30-22-12-19(13-23(31-2)25(22)33-14-17-6-4-3-5-7-17)26(29)28-9-8-18-10-21(27)11-20-15-32-16-34-24(18)20/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,28,29)
InChIKeyCCROBDYEDNSOMS-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.26
Rot. Bonds9

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 55665778) has the molecular formula C26H26FNO6 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID55665778
Molecular FormulaC26H26FNO6
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H26FNO6/c1-30-22-12-19(13-23(31-2)25(22)33-14-17-6-4-3-5-7-17)26(29)28-9-8-18-10-21(27)11-20-15-32-16-34-24(18)20/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,28,29)
InChIKeyCCROBDYEDNSOMS-UHFFFAOYSA-N
XLogP4.26
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
CID 55663401
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 86865764
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
(E)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 94669794
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(3-methoxy-2-pyridinyl)urea
CID 75456111
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377254
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55666093
N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55931021
3-[2-[[N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633251
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
CID 51128406

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 55665778) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is CCROBDYEDNSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO6/c1-30-22-12-19(13-23(31-2)25(22)33-14-17-6-4-3-5-7-17)26(29)28-9-8-18-10-21(27)11-20-15-32-16-34-24(18)20/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,28,29).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 467.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55665778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).