ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate

C19H19FN2O4 — CID 113178882

IUPACethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC(=O)Nc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H19FN2O4/c1-3-26-19(25)14-4-10-17(11-5-14)22(13(2)23)12-18(24)21-16-8-6-15(20)7-9-16/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyQGTICPZNPATRKO-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.99
Rot. Bonds6

About ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate

ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate (PubChem CID 113178882) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
PubChem CID113178882
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Nameethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC(=O)Nc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H19FN2O4/c1-3-26-19(25)14-4-10-17(11-5-14)22(13(2)23)12-18(24)21-16-8-6-15(20)7-9-16/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyQGTICPZNPATRKO-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
ethyl 4-[acetyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]benzoate
CID 113178909
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
ethyl 4-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]benzoate
CID 92663958
ethyl 4-[[2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30260388
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
ethyl 4-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]benzoate
CID 1103794

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate (CID 113178882) is ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(N(CC(=O)Nc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is QGTICPZNPATRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-3-26-19(25)14-4-10-17(11-5-14)22(13(2)23)12-18(24)21-16-8-6-15(20)7-9-16/h4-11H,3,12H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate?
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 358.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113178882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).