[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C22H18FNO4 — CID 2674174

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C22H18FNO4/c23-18-13-7-8-14-19(18)24-20(25)15-28-21(26)22(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,27H,15H2,(H,24,25)
InChIKeyPULPXAZNCZGWMZ-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.24
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 2674174) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID2674174
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C22H18FNO4/c23-18-13-7-8-14-19(18)24-20(25)15-28-21(26)22(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,27H,15H2,(H,24,25)
InChIKeyPULPXAZNCZGWMZ-UHFFFAOYSA-N
XLogP3.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191567
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500353
2-(1-amino-2-methylpropan-2-yl)oxy-N-(2-fluorophenyl)acetamide
CID 65053278
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191557
trans-[2-(2-fluoroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2356465
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 2674174) is [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is PULPXAZNCZGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c23-18-13-7-8-14-19(18)24-20(25)15-28-21(26)22(27,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,27H,15H2,(H,24,25).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 379.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 2674174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).