[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate

C19H19FN2O4 — CID 1089230

IUPAC[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O4/c20-15-7-5-14(6-8-15)19(24)26-13-18(23)21-16-3-1-2-4-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyAWOIIEMJHBYBPL-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.46
Rot. Bonds5

About [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 1089230) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID1089230
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O4/c20-15-7-5-14(6-8-15)19(24)26-13-18(23)21-16-3-1-2-4-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyAWOIIEMJHBYBPL-UHFFFAOYSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate (CID 1089230) is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is AWOIIEMJHBYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-15-7-5-14(6-8-15)19(24)26-13-18(23)21-16-3-1-2-4-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23).
What are the key properties of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 358.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 1089230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).