2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

C21H22F3NO4 — CID 18139669

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO4/c1-14(26)17-7-8-19(28-2)18(9-17)10-20(27)25-11-15-3-5-16(6-4-15)12-29-13-21(22,23)24/h3-9H,10-13H2,1-2H3,(H,25,27)
InChIKeyFZZGLJOTYFBUHK-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.84
Rot. Bonds9

About 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (PubChem CID 18139669) has the molecular formula C21H22F3NO4 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
PubChem CID18139669
Molecular FormulaC21H22F3NO4
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO4/c1-14(26)17-7-8-19(28-2)18(9-17)10-20(27)25-11-15-3-5-16(6-4-15)12-29-13-21(22,23)24/h3-9H,10-13H2,1-2H3,(H,25,27)
InChIKeyFZZGLJOTYFBUHK-UHFFFAOYSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 38143412
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 18271704
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
3-(3,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 18291272
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 30177375
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 16582112

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (CID 18139669) is 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is FZZGLJOTYFBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO4/c1-14(26)17-7-8-19(28-2)18(9-17)10-20(27)25-11-15-3-5-16(6-4-15)12-29-13-21(22,23)24/h3-9H,10-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 409.40 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18139669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).