[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate

C21H18FNO3 — CID 8551549

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO3/c22-18-9-5-15(6-10-18)7-12-21(25)26-14-20(24)23-19-11-8-16-3-1-2-4-17(16)13-19/h1-6,8-11,13H,7,12,14H2,(H,23,24)
InChIKeyAXTAGTAOLBLZTL-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.09
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate (PubChem CID 8551549) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
PubChem CID8551549
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO3/c22-18-9-5-15(6-10-18)7-12-21(25)26-14-20(24)23-19-11-8-16-3-1-2-4-17(16)13-19/h1-6,8-11,13H,7,12,14H2,(H,23,24)
InChIKeyAXTAGTAOLBLZTL-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954284
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 2116978
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2095378
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate (CID 8551549) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate is O=C(COC(=O)CCc1ccc(F)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is AXTAGTAOLBLZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-18-9-5-15(6-10-18)7-12-21(25)26-14-20(24)23-19-11-8-16-3-1-2-4-17(16)13-19/h1-6,8-11,13H,7,12,14H2,(H,23,24).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 351.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 8551549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).