[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate

C20H17F3N2O6 — CID 56985273

IUPAC[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC(=O)N(CC(=O)OC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C20H17F3N2O6/c1-12(26)25(15-7-2-3-8-16(15)27)11-18(29)31-17(28)10-24-19(30)13-5-4-6-14(9-13)20(21,22)23/h2-9,27H,10-11H2,1H3,(H,24,30)
InChIKeyLAQVIULNMDZIHF-UHFFFAOYSA-N
MW438.36 g/mol
LogP2.26
Rot. Bonds6

About [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate

[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 56985273) has the molecular formula C20H17F3N2O6 and a molecular weight of 438.36 g/mol. Its IUPAC name is [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID56985273
Molecular FormulaC20H17F3N2O6
Molecular Weight438.36 g/mol
Exact Mass438.10
IUPAC Name[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCC(=O)N(CC(=O)OC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C20H17F3N2O6/c1-12(26)25(15-7-2-3-8-16(15)27)11-18(29)31-17(28)10-24-19(30)13-5-4-6-14(9-13)20(21,22)23/h2-9,27H,10-11H2,1H3,(H,24,30)
InChIKeyLAQVIULNMDZIHF-UHFFFAOYSA-N
XLogP2.26
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate (CID 56985273) is [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate is CC(=O)N(CC(=O)OC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1O.
What is the InChIKey of [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is LAQVIULNMDZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O6/c1-12(26)25(15-7-2-3-8-16(15)27)11-18(29)31-17(28)10-24-19(30)13-5-4-6-14(9-13)20(21,22)23/h2-9,27H,10-11H2,1H3,(H,24,30).
What are the key properties of [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate?
[2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 438.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-hydroxyanilino)acetyl] 2-[[3-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 56985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).