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

C19H19ClFNO3 — CID 8554063

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(F)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFNO3/c20-16-6-1-15(2-7-16)11-12-22-18(23)13-25-19(24)10-5-14-3-8-17(21)9-4-14/h1-4,6-9H,5,10-13H2,(H,22,23)
InChIKeyBDJUPSTXFITOIB-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.31
Rot. Bonds8

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

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate (PubChem CID 8554063) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
PubChem CID8554063
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(F)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFNO3/c20-16-6-1-15(2-7-16)11-12-22-18(23)13-25-19(24)10-5-14-3-8-17(21)9-4-14/h1-4,6-9H,5,10-13H2,(H,22,23)
InChIKeyBDJUPSTXFITOIB-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate (CID 8554063) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate is O=C(COC(=O)CCc1ccc(F)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is BDJUPSTXFITOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c20-16-6-1-15(2-7-16)11-12-22-18(23)13-25-19(24)10-5-14-3-8-17(21)9-4-14/h1-4,6-9H,5,10-13H2,(H,22,23).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 363.82 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8554063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).