3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide

C24H21F3N2O6 — CID 16552258

IUPAC3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2OC)cc1
InChIInChI=1S/C24H21F3N2O6/c1-32-18-8-4-16(5-9-18)28-22(30)14-34-20-12-3-15(13-21(20)33-2)23(31)29-17-6-10-19(11-7-17)35-24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyWWZRJPKCVQOYIS-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.87
Rot. Bonds9

About 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide

3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 16552258) has the molecular formula C24H21F3N2O6 and a molecular weight of 490.43 g/mol. Its IUPAC name is 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID16552258
Molecular FormulaC24H21F3N2O6
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC Name3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2OC)cc1
InChIInChI=1S/C24H21F3N2O6/c1-32-18-8-4-16(5-9-18)28-22(30)14-34-20-12-3-15(13-21(20)33-2)23(31)29-17-6-10-19(11-7-17)35-24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyWWZRJPKCVQOYIS-UHFFFAOYSA-N
XLogP4.87
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 31619702
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 16552258) is 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2OC)cc1.
What is the InChIKey of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is WWZRJPKCVQOYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O6/c1-32-18-8-4-16(5-9-18)28-22(30)14-34-20-12-3-15(13-21(20)33-2)23(31)29-17-6-10-19(11-7-17)35-24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 490.43 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 16552258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).