[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate

C18H19FN2O3 — CID 2611926

IUPAC[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-11-20-17(22)12-24-18(23)15-5-3-4-6-16(15)21-14-9-7-13(19)8-10-14/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyBXWCXGLLTKGZQR-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.25
Rot. Bonds7

About [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate

[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate (PubChem CID 2611926) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
PubChem CID2611926
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-11-20-17(22)12-24-18(23)15-5-3-4-6-16(15)21-14-9-7-13(19)8-10-14/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyBXWCXGLLTKGZQR-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611917
[2-(dimethylamino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 18074805
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 4791061
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 2542711
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602320
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-oxo-2-(propylamino)ethyl] 4-[(4-fluorophenyl)sulfamoyl]benzoate
CID 9329423
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate (CID 2611926) is [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate is CCCNC(=O)COC(=O)c1ccccc1Nc1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate?
The InChIKey is BXWCXGLLTKGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-11-20-17(22)12-24-18(23)15-5-3-4-6-16(15)21-14-9-7-13(19)8-10-14/h3-10,21H,2,11-12H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate?
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate has a molecular weight of 330.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate is sourced from PubChem (CID 2611926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).