[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C18H19FN2O4 — CID 7602320

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c19-14-7-5-13(6-8-14)11-21-17(23)12-25-18(24)15-3-1-2-4-16(15)20-9-10-22/h1-8,20,22H,9-12H2,(H,21,23)
InChIKeyVEMCHYOOQPHQSC-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.70
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602320) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602320
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c19-14-7-5-13(6-8-14)11-21-17(23)12-25-18(24)15-3-1-2-4-16(15)20-9-10-22/h1-8,20,22H,9-12H2,(H,21,23)
InChIKeyVEMCHYOOQPHQSC-UHFFFAOYSA-N
XLogP1.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 2542711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926869
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602415
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602411

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602320) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is VEMCHYOOQPHQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-7-5-13(6-8-14)11-21-17(23)12-25-18(24)15-3-1-2-4-16(15)20-9-10-22/h1-8,20,22H,9-12H2,(H,21,23).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 346.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).