2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C19H17F3N2O4 — CID 51141716

IUPAC2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H17F3N2O4/c1-10(25)12-4-3-5-13(8-12)28-11(2)19(27)23-9-16(26)24-15-7-6-14(20)17(21)18(15)22/h3-8,11H,9H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZWEPJIQUHDSTBM-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.83
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 51141716) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID51141716
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H17F3N2O4/c1-10(25)12-4-3-5-13(8-12)28-11(2)19(27)23-9-16(26)24-15-7-6-14(20)17(21)18(15)22/h3-8,11H,9H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZWEPJIQUHDSTBM-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,5-dichlorophenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40811109
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
(2R)-2-(3-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7964286
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 6216226
(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
CID 52834656
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 55378824
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2,4-dimethylbenzoate
CID 6915116
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 55323574
methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 51141716) is 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is CC(=O)c1cccc(OC(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is ZWEPJIQUHDSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-10(25)12-4-3-5-13(8-12)28-11(2)19(27)23-9-16(26)24-15-7-6-14(20)17(21)18(15)22/h3-8,11H,9H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 394.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 51141716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).