N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

C22H24F3N3O3 — CID 55482287

IUPACN-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H24F3N3O3/c1-3-28(13-12-20(30)26-17-10-8-16(9-11-17)15(2)29)14-21(31)27-19-7-5-4-6-18(19)22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHHXFGBJCSKZBNX-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.20
Rot. Bonds9

About N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (PubChem CID 55482287) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
PubChem CID55482287
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H24F3N3O3/c1-3-28(13-12-20(30)26-17-10-8-16(9-11-17)15(2)29)14-21(31)27-19-7-5-4-6-18(19)22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHHXFGBJCSKZBNX-UHFFFAOYSA-N
XLogP4.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
CID 119934823
N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 2462034
3-[octyl-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]amino]-N-phenylpropanamide
CID 155547152
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623369
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
4-(diethylamino)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9431728

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (CID 55482287) is N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The InChIKey is HHXFGBJCSKZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-3-28(13-12-20(30)26-17-10-8-16(9-11-17)15(2)29)14-21(31)27-19-7-5-4-6-18(19)22(23,24)25/h4-11H,3,12-14H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide has a molecular weight of 435.45 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is sourced from PubChem (CID 55482287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).