[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate

C22H16F3NO4 — CID 2605864

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H16F3NO4/c23-16-10-11-17(21(25)20(16)24)26-19(27)13-30-22(28)15-8-4-5-9-18(15)29-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,26,27)
InChIKeyFVCSGCCGAKAGOO-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.48
Rot. Bonds7

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate (PubChem CID 2605864) has the molecular formula C22H16F3NO4 and a molecular weight of 415.37 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
PubChem CID2605864
Molecular FormulaC22H16F3NO4
Molecular Weight415.37 g/mol
Exact Mass415.10
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H16F3NO4/c23-16-10-11-17(21(25)20(16)24)26-19(27)13-30-22(28)15-8-4-5-9-18(15)29-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,26,27)
InChIKeyFVCSGCCGAKAGOO-UHFFFAOYSA-N
XLogP4.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2399403
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920117
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42973466
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 4184238
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2116222
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376958
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 2116978
phenacyl 2-phenylmethoxybenzoate
CID 2565163

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate (CID 2605864) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate is O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate?
The InChIKey is FVCSGCCGAKAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO4/c23-16-10-11-17(21(25)20(16)24)26-19(27)13-30-22(28)15-8-4-5-9-18(15)29-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,26,27).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate has a molecular weight of 415.37 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2605864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).