4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C18H18F3NO4 — CID 24575944

IUPAC4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C18H18F3NO4/c1-3-25-15-9-6-13(10-16(15)24-2)17(23)22-11-12-4-7-14(8-5-12)26-18(19,20)21/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyJZGANFPMGGKIKH-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.92
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24575944) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24575944
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C18H18F3NO4/c1-3-25-15-9-6-13(10-16(15)24-2)17(23)22-11-12-4-7-14(8-5-12)26-18(19,20)21/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyJZGANFPMGGKIKH-UHFFFAOYSA-N
XLogP3.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
2-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598436
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141454
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24575944) is 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is JZGANFPMGGKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-3-25-15-9-6-13(10-16(15)24-2)17(23)22-11-12-4-7-14(8-5-12)26-18(19,20)21/h4-10H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24575944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).