[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate

C25H23FN2O5 — CID 55316488

IUPAC[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESCC(NC(=O)c1ccccc1NC(=O)COC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O5/c1-17(18-9-3-2-4-10-18)27-25(31)19-11-5-7-13-21(19)28-23(29)15-33-24(30)16-32-22-14-8-6-12-20(22)26/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,29)
InChIKeyBCZROSAXRULZJP-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.88
Rot. Bonds9

About [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 55316488) has the molecular formula C25H23FN2O5 and a molecular weight of 450.47 g/mol. Its IUPAC name is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID55316488
Molecular FormulaC25H23FN2O5
Molecular Weight450.47 g/mol
Exact Mass450.16
IUPAC Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESCC(NC(=O)c1ccccc1NC(=O)COC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O5/c1-17(18-9-3-2-4-10-18)27-25(31)19-11-5-7-13-21(19)28-23(29)15-33-24(30)16-32-22-14-8-6-12-20(22)26/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,29)
InChIKeyBCZROSAXRULZJP-UHFFFAOYSA-N
XLogP3.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-bromo-5-fluorobenzoate
CID 46611070
2-[[2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7703622
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55306100

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate (CID 55316488) is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate is CC(NC(=O)c1ccccc1NC(=O)COC(=O)COc1ccccc1F)c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is BCZROSAXRULZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5/c1-17(18-9-3-2-4-10-18)27-25(31)19-11-5-7-13-21(19)28-23(29)15-33-24(30)16-32-22-14-8-6-12-20(22)26/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,29).
What are the key properties of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 450.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 55316488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).