[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate

C19H17F2NO5 — CID 8638546

IUPAC[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C19H17F2NO5/c1-11(23)13-3-6-15(7-4-13)26-10-18(24)27-12(2)19(25)22-17-9-14(20)5-8-16(17)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyACIYEQSDWCLXNY-LBPRGKRZSA-N
MW377.34 g/mol
LogP3.12
Rot. Bonds7

About [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate

[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate (PubChem CID 8638546) has the molecular formula C19H17F2NO5 and a molecular weight of 377.34 g/mol. Its IUPAC name is [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
PubChem CID8638546
Molecular FormulaC19H17F2NO5
Molecular Weight377.34 g/mol
Exact Mass377.11
IUPAC Name[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C19H17F2NO5/c1-11(23)13-3-6-15(7-4-13)26-10-18(24)27-12(2)19(25)22-17-9-14(20)5-8-16(17)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyACIYEQSDWCLXNY-LBPRGKRZSA-N
XLogP3.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638551
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46513922
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(4-acetylphenoxy)acetate
CID 46793915
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791474
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938441
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855481
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 55420362
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999011
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619039
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149565

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate (CID 8638546) is [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate?
The InChIKey is ACIYEQSDWCLXNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17F2NO5/c1-11(23)13-3-6-15(7-4-13)26-10-18(24)27-12(2)19(25)22-17-9-14(20)5-8-16(17)21/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m0/s1.
What are the key properties of [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate?
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate has a molecular weight of 377.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8638546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).