benzyl 2-(2-fluoroanilino)acetate

C15H14FNO2 — CID 18929217

IUPACbenzyl 2-(2-fluoroanilino)acetate
SMILESO=C(CNc1ccccc1F)OCc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17-10-15(18)19-11-12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKeyJQRHDYAGUOGKFX-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.98
Rot. Bonds5

About benzyl 2-(2-fluoroanilino)acetate

benzyl 2-(2-fluoroanilino)acetate (PubChem CID 18929217) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is benzyl 2-(2-fluoroanilino)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-fluoroanilino)acetate
PubChem CID18929217
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namebenzyl 2-(2-fluoroanilino)acetate
SMILESO=C(CNc1ccccc1F)OCc1ccccc1
InChIInChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17-10-15(18)19-11-12-6-2-1-3-7-12/h1-9,17H,10-11H2
InChIKeyJQRHDYAGUOGKFX-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-fluoroanilino)acetate?
The IUPAC name of benzyl 2-(2-fluoroanilino)acetate (CID 18929217) is benzyl 2-(2-fluoroanilino)acetate.
What is the SMILES notation for benzyl 2-(2-fluoroanilino)acetate?
The canonical SMILES for benzyl 2-(2-fluoroanilino)acetate is O=C(CNc1ccccc1F)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-fluoroanilino)acetate?
The InChIKey is JQRHDYAGUOGKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17-10-15(18)19-11-12-6-2-1-3-7-12/h1-9,17H,10-11H2.
What are the key properties of benzyl 2-(2-fluoroanilino)acetate?
benzyl 2-(2-fluoroanilino)acetate has a molecular weight of 259.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-fluoroanilino)acetate is sourced from PubChem (CID 18929217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).