[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C21H20F3N3O4 — CID 46622619

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H20F3N3O4/c1-3-30-17-11-7-5-9-15(17)25-19(29)13(2)31-18(28)12-27-16-10-6-4-8-14(16)26-20(27)21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,25,29)
InChIKeyXEZWWBHKTPJBEE-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.02
Rot. Bonds7

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 46622619) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID46622619
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H20F3N3O4/c1-3-30-17-11-7-5-9-15(17)25-19(29)13(2)31-18(28)12-27-16-10-6-4-8-14(16)26-20(27)21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,25,29)
InChIKeyXEZWWBHKTPJBEE-UHFFFAOYSA-N
XLogP4.02
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 40633280
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46622589
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305920
[1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4302998
N-[2-(2-phenylethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55674996
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948060
(5-methyl-2-propan-2-ylphenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 3803052
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723
1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
CID 46287097

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 46622619) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is CCOc1ccccc1NC(=O)C(C)OC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is XEZWWBHKTPJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-3-30-17-11-7-5-9-15(17)25-19(29)13(2)31-18(28)12-27-16-10-6-4-8-14(16)26-20(27)21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,25,29).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 435.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 46622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).