[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate

C19H19ClFNO4 — CID 8559510

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)OCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO4/c1-13(26-17-7-5-16(21)6-8-17)19(24)25-12-18(23)22-10-9-14-3-2-4-15(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBAYFETXFLAVCBK-ZDUSSCGKSA-N
MW379.82 g/mol
LogP3.15
Rot. Bonds8

About [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate (PubChem CID 8559510) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
PubChem CID8559510
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)OCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO4/c1-13(26-17-7-5-16(21)6-8-17)19(24)25-12-18(23)22-10-9-14-3-2-4-15(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBAYFETXFLAVCBK-ZDUSSCGKSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867295
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 39731176
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868247
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate (CID 8559510) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate is C[C@H](Oc1ccc(F)cc1)C(=O)OCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The InChIKey is BAYFETXFLAVCBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c1-13(26-17-7-5-16(21)6-8-17)19(24)25-12-18(23)22-10-9-14-3-2-4-15(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate has a molecular weight of 379.82 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 8559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).