[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate

C17H15F2NO4 — CID 7833703

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2NO4/c1-11(24-12-6-3-2-4-7-12)17(22)23-10-15(21)20-16-13(18)8-5-9-14(16)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQWBQGVZRCBZEPO-NSHDSACASA-N
MW335.31 g/mol
LogP2.91
Rot. Bonds6

About [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate

[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate (PubChem CID 7833703) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
PubChem CID7833703
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2NO4/c1-11(24-12-6-3-2-4-7-12)17(22)23-10-15(21)20-16-13(18)8-5-9-14(16)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyQWBQGVZRCBZEPO-NSHDSACASA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806658
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833656
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate (CID 7833703) is [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate is C[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
The InChIKey is QWBQGVZRCBZEPO-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-11(24-12-6-3-2-4-7-12)17(22)23-10-15(21)20-16-13(18)8-5-9-14(16)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate has a molecular weight of 335.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 7833703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).