[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate

C20H14F3NO3 — CID 2344876

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)14-8-10-15(11-9-14)24-18(25)12-27-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,25)
InChIKeyBHIMUZPVEUKJSP-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.65
Rot. Bonds4

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate (PubChem CID 2344876) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
PubChem CID2344876
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)14-8-10-15(11-9-14)24-18(25)12-27-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,25)
InChIKeyBHIMUZPVEUKJSP-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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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] quinoline-4-carboxylate
CID 78815301
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
CID 1057508
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7785327
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
[2-(4-nitroanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 5080642
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
[2-(4-tert-butylanilino)-2-oxoethyl] 2-methylbenzoate
CID 7718013
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7284641
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 42964864

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate (CID 2344876) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate?
The InChIKey is BHIMUZPVEUKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c21-20(22,23)14-8-10-15(11-9-14)24-18(25)12-27-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,25).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-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-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2344876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).