[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate

C18H16F3N3O4 — CID 8789976

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O4/c1-11(25)23-24-16(26)10-28-17(27)14-7-2-3-8-15(14)22-13-6-4-5-12(9-13)18(19,20)21/h2-9,22H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyFLASRWFROSEDEE-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.77
Rot. Bonds5

About [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate (PubChem CID 8789976) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
PubChem CID8789976
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O4/c1-11(25)23-24-16(26)10-28-17(27)14-7-2-3-8-15(14)22-13-6-4-5-12(9-13)18(19,20)21/h2-9,22H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyFLASRWFROSEDEE-UHFFFAOYSA-N
XLogP2.77
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
(2-oxo-2-piperidin-1-ylethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 4842956
[2-(3-chlorophenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2382911
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 6601288
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 18204731
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate (CID 8789976) is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate is CC(=O)NNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The InChIKey is FLASRWFROSEDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-11(25)23-24-16(26)10-28-17(27)14-7-2-3-8-15(14)22-13-6-4-5-12(9-13)18(19,20)21/h2-9,22H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate has a molecular weight of 395.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate is sourced from PubChem (CID 8789976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).