4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C18H18F3NO5 — CID 41261622

IUPAC4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18F3NO5/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-22-17(23)12-4-6-13(7-5-12)27-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyZEXIYZIJGJNORZ-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.54
Rot. Bonds7

About 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 41261622) has the molecular formula C18H18F3NO5 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID41261622
Molecular FormulaC18H18F3NO5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Name4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H18F3NO5/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-22-17(23)12-4-6-13(7-5-12)27-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyZEXIYZIJGJNORZ-UHFFFAOYSA-N
XLogP3.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
2-methyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377039
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59811273
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 41261622) is 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ZEXIYZIJGJNORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO5/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-22-17(23)12-4-6-13(7-5-12)27-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 385.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 41261622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).