[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate

C20H14F3NO3 — CID 4803357

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)16-7-3-4-8-17(16)24-18(25)12-27-19(26)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,24,25)
InChIKeyLTAHHRUSWXGVRA-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.65
Rot. Bonds4

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate (PubChem CID 4803357) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate
PubChem CID4803357
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)16-7-3-4-8-17(16)24-18(25)12-27-19(26)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,24,25)
InChIKeyLTAHHRUSWXGVRA-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate (CID 4803357) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate?
The InChIKey is LTAHHRUSWXGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c21-20(22,23)16-7-3-4-8-17(16)24-18(25)12-27-19(26)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,24,25).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate has a molecular weight of 373.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 4803357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).