[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

C19H19FN2O5 — CID 8672059

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C19H19FN2O5/c1-22(11-17(24)21-15-6-4-14(20)5-7-15)18(25)12-27-19(26)10-13-2-8-16(23)9-3-13/h2-9,23H,10-12H2,1H3,(H,21,24)
InChIKeyGEKAEHSLGUDQNQ-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.71
Rot. Bonds7

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8672059) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8672059
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C19H19FN2O5/c1-22(11-17(24)21-15-6-4-14(20)5-7-15)18(25)12-27-19(26)10-13-2-8-16(23)9-3-13/h2-9,23H,10-12H2,1H3,(H,21,24)
InChIKeyGEKAEHSLGUDQNQ-UHFFFAOYSA-N
XLogP1.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (CID 8672059) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(O)cc1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is GEKAEHSLGUDQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-22(11-17(24)21-15-6-4-14(20)5-7-15)18(25)12-27-19(26)10-13-2-8-16(23)9-3-13/h2-9,23H,10-12H2,1H3,(H,21,24).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 374.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8672059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).