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

C17H17FN2O3 — CID 18929196

IUPACethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)12-7-3-5-9-14(12)20-16(21)11-19-15-10-6-4-8-13(15)18/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyXFVBEJFUSVQFDL-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.05
Rot. Bonds6

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

ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate (PubChem CID 18929196) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
PubChem CID18929196
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Nameethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)12-7-3-5-9-14(12)20-16(21)11-19-15-10-6-4-8-13(15)18/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyXFVBEJFUSVQFDL-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 9099189
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 109011291
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate (CID 18929196) is ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1ccccc1F.
What is the InChIKey of ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate?
The InChIKey is XFVBEJFUSVQFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-17(22)12-7-3-5-9-14(12)20-16(21)11-19-15-10-6-4-8-13(15)18/h3-10,19H,2,11H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate has a molecular weight of 316.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate is sourced from PubChem (CID 18929196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).