[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

C19H20FNO5 — CID 2402432

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-24-16-4-2-3-5-17(16)25-11-10-19(23)26-13-18(22)21-12-14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyNGHOCTXFIXJLCX-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.46
Rot. Bonds9

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (PubChem CID 2402432) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
PubChem CID2402432
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO5/c1-24-16-4-2-3-5-17(16)25-11-10-19(23)26-13-18(22)21-12-14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyNGHOCTXFIXJLCX-UHFFFAOYSA-N
XLogP2.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (CID 2402432) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is COc1ccccc1OCCC(=O)OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The InChIKey is NGHOCTXFIXJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-24-16-4-2-3-5-17(16)25-11-10-19(23)26-13-18(22)21-12-14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate has a molecular weight of 361.37 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 2402432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).