[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate

C20H21F2NO5 — CID 8850905

IUPAC[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H21F2NO5/c1-3-11-26-16-9-4-5-10-17(16)27-12-18(24)28-13(2)20(25)23-19-14(21)7-6-8-15(19)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyCUXMLFLYNMOGLQ-ZDUSSCGKSA-N
MW393.39 g/mol
LogP3.70
Rot. Bonds9

About [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate (PubChem CID 8850905) has the molecular formula C20H21F2NO5 and a molecular weight of 393.39 g/mol. Its IUPAC name is [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
PubChem CID8850905
Molecular FormulaC20H21F2NO5
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H21F2NO5/c1-3-11-26-16-9-4-5-10-17(16)27-12-18(24)28-13(2)20(25)23-19-14(21)7-6-8-15(19)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyCUXMLFLYNMOGLQ-ZDUSSCGKSA-N
XLogP3.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 8741274
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791131
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885457
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 55419510
[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729333
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8637869
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913382
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 7842256

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The IUPAC name of [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate (CID 8850905) is [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The canonical SMILES for [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate is CCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The InChIKey is CUXMLFLYNMOGLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F2NO5/c1-3-11-26-16-9-4-5-10-17(16)27-12-18(24)28-13(2)20(25)23-19-14(21)7-6-8-15(19)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate has a molecular weight of 393.39 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate is sourced from PubChem (CID 8850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).