[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate

C26H20FNO4 — CID 2116978

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H20FNO4/c27-21-12-9-18(10-13-21)16-31-24-8-4-3-7-23(24)26(30)32-17-25(29)28-22-14-11-19-5-1-2-6-20(19)15-22/h1-15H,16-17H2,(H,28,29)
InChIKeySGUIZABFCWMZRT-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.35
Rot. Bonds7

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 2116978) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
PubChem CID2116978
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H20FNO4/c27-21-12-9-18(10-13-21)16-31-24-8-4-3-7-23(24)26(30)32-17-25(29)28-22-14-11-19-5-1-2-6-20(19)15-22/h1-15H,16-17H2,(H,28,29)
InChIKeySGUIZABFCWMZRT-UHFFFAOYSA-N
XLogP5.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42962998
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803664
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572724
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
CID 2605864
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926668
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8854981

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate (CID 2116978) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate is O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is SGUIZABFCWMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c27-21-12-9-18(10-13-21)16-31-24-8-4-3-7-23(24)26(30)32-17-25(29)28-22-14-11-19-5-1-2-6-20(19)15-22/h1-15H,16-17H2,(H,28,29).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 429.45 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 2116978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).