(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate

C21H17FN2O3 — CID 18134973

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate
SMILESNC(=O)C(OC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17FN2O3/c22-15-10-12-16(13-11-15)24-18-9-5-4-8-17(18)21(26)27-19(20(23)25)14-6-2-1-3-7-14/h1-13,19,24H,(H2,23,25)
InChIKeyHBKGIRFUWNYSOP-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.95
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate

(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate (PubChem CID 18134973) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate
PubChem CID18134973
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate
SMILESNC(=O)C(OC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17FN2O3/c22-15-10-12-16(13-11-15)24-18-9-5-4-8-17(18)21(26)27-19(20(23)25)14-6-2-1-3-7-14/h1-13,19,24H,(H2,23,25)
InChIKeyHBKGIRFUWNYSOP-UHFFFAOYSA-N
XLogP3.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
[2-(dimethylamino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 18074805
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 4791061
[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 25372727
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate
CID 7663789
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7486928
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate
CID 7602262
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611917
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate (CID 18134973) is (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate is NC(=O)C(OC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate?
The InChIKey is HBKGIRFUWNYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-15-10-12-16(13-11-15)24-18-9-5-4-8-17(18)21(26)27-19(20(23)25)14-6-2-1-3-7-14/h1-13,19,24H,(H2,23,25).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate?
(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate has a molecular weight of 364.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate is sourced from PubChem (CID 18134973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).