[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate

C17H16FNO4 — CID 2506688

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO4/c18-14-8-6-13(7-9-14)10-19-16(20)11-23-17(21)12-22-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,20)
InChIKeyHOUKHKMSYHYJLQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.06
Rot. Bonds7

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2506688) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID2506688
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO4/c18-14-8-6-13(7-9-14)10-19-16(20)11-23-17(21)12-22-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,20)
InChIKeyHOUKHKMSYHYJLQ-UHFFFAOYSA-N
XLogP2.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185613
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate (CID 2506688) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is HOUKHKMSYHYJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-14-8-6-13(7-9-14)10-19-16(20)11-23-17(21)12-22-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,20).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 317.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 2506688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).