3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide

C20H21F3N2O3 — CID 113130495

IUPAC3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-3-28-18-9-7-16(8-10-18)24-19(27)11-12-25(14(2)26)17-6-4-5-15(13-17)20(21,22)23/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyPZQQPJDJMYEECT-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.49
Rot. Bonds7

About 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 113130495) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
PubChem CID113130495
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-3-28-18-9-7-16(8-10-18)24-19(27)11-12-25(14(2)26)17-6-4-5-15(13-17)20(21,22)23/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyPZQQPJDJMYEECT-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide (CID 113130495) is 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is PZQQPJDJMYEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-3-28-18-9-7-16(8-10-18)24-19(27)11-12-25(14(2)26)17-6-4-5-15(13-17)20(21,22)23/h4-10,13H,3,11-12H2,1-2H3,(H,24,27).
What are the key properties of 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide?
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 394.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113130495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).