4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide

C12H13F3N2O3 — CID 42960594

IUPAC4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13F3N2O3/c1-7(20-6-12(13,14)15)11(19)17-9-4-2-8(3-5-9)10(16)18/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMUVNDPMMKULHBR-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide

4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide (PubChem CID 42960594) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
PubChem CID42960594
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13F3N2O3/c1-7(20-6-12(13,14)15)11(19)17-9-4-2-8(3-5-9)10(16)18/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMUVNDPMMKULHBR-UHFFFAOYSA-N
XLogP1.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
CID 51725511
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide (CID 42960594) is 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide is CC(OCC(F)(F)F)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide?
The InChIKey is MUVNDPMMKULHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7(20-6-12(13,14)15)11(19)17-9-4-2-8(3-5-9)10(16)18/h2-5,7H,6H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide?
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide has a molecular weight of 290.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide is sourced from PubChem (CID 42960594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).