[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

C21H16F3NO4 — CID 8912726

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESO=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H16F3NO4/c22-21(23,24)16-6-3-7-18(11-16)28-13-20(27)29-12-19(26)25-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,25,26)
InChIKeyKSCZIMKOUODSQY-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.42
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 8912726) has the molecular formula C21H16F3NO4 and a molecular weight of 403.36 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID8912726
Molecular FormulaC21H16F3NO4
Molecular Weight403.36 g/mol
Exact Mass403.10
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESO=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H16F3NO4/c22-21(23,24)16-6-3-7-18(11-16)28-13-20(27)29-12-19(26)25-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,25,26)
InChIKeyKSCZIMKOUODSQY-UHFFFAOYSA-N
XLogP4.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853958
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8850997
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate (CID 8912726) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate is O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is KSCZIMKOUODSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4/c22-21(23,24)16-6-3-7-18(11-16)28-13-20(27)29-12-19(26)25-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,25,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 403.36 g/mol, XLogP of 4.42, 6 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-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 8912726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).