N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H22F3NO4 — CID 55660672

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C20H22F3NO4/c1-3-28-17-9-6-15(10-18(17)26-2)11-24-19(25)16-7-4-14(5-8-16)12-27-13-20(21,22)23/h4-10H,3,11-13H2,1-2H3,(H,24,25)
InChIKeyLOVKIMRKFJOKSQ-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.10
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55660672) has the molecular formula C20H22F3NO4 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55660672
Molecular FormulaC20H22F3NO4
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1OC
InChIInChI=1S/C20H22F3NO4/c1-3-28-17-9-6-15(10-18(17)26-2)11-24-19(25)16-7-4-14(5-8-16)12-27-13-20(21,22)23/h4-10H,3,11-13H2,1-2H3,(H,24,25)
InChIKeyLOVKIMRKFJOKSQ-UHFFFAOYSA-N
XLogP4.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide 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-4-(pyridin-3-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30838230
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 18271704
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55660672) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CCOc1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is LOVKIMRKFJOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4/c1-3-28-17-9-6-15(10-18(17)26-2)11-24-19(25)16-7-4-14(5-8-16)12-27-13-20(21,22)23/h4-10H,3,11-13H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 397.39 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55660672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).