[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C21H16F3NO3 — CID 2338108

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)16-8-3-5-14(11-16)12-20(27)28-13-19(26)25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11H,12-13H2,(H,25,26)
InChIKeySPUYPRORMBDSIQ-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.58
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2338108) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2338108
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)16-8-3-5-14(11-16)12-20(27)28-13-19(26)25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11H,12-13H2,(H,25,26)
InChIKeySPUYPRORMBDSIQ-UHFFFAOYSA-N
XLogP4.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2338108) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is SPUYPRORMBDSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3/c22-21(23,24)16-8-3-5-14(11-16)12-20(27)28-13-19(26)25-18-10-4-7-15-6-1-2-9-17(15)18/h1-11H,12-13H2,(H,25,26).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 387.36 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2338108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).