[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate

C19H20FNO4 — CID 2608364

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-2-15-5-3-4-6-17(15)24-13-19(23)25-12-18(22)21-11-14-7-9-16(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeySAHKKPAONXHTFJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.63
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate (PubChem CID 2608364) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
PubChem CID2608364
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c1-2-15-5-3-4-6-17(15)24-13-19(23)25-12-18(22)21-11-14-7-9-16(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeySAHKKPAONXHTFJ-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608442
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate (CID 2608364) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
The InChIKey is SAHKKPAONXHTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-2-15-5-3-4-6-17(15)24-13-19(23)25-12-18(22)21-11-14-7-9-16(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate has a molecular weight of 345.37 g/mol, XLogP of 2.63, 8 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-(2-ethylphenoxy)acetate is sourced from PubChem (CID 2608364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).