[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate

C19H12F3NO3 — CID 7698478

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12F3NO3/c20-14-7-8-15(18(22)17(14)21)23-16(24)10-26-19(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,23,24)
InChIKeyVZGAPKAXKHDAEF-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.05
Rot. Bonds4

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate (PubChem CID 7698478) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
PubChem CID7698478
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12F3NO3/c20-14-7-8-15(18(22)17(14)21)23-16(24)10-26-19(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,23,24)
InChIKeyVZGAPKAXKHDAEF-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010573
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-amino-4-chlorobenzoate
CID 2571799
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376958
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500646
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] naphthalene-2-carboxylate
CID 23908095
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698532

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate (CID 7698478) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate?
The InChIKey is VZGAPKAXKHDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-14-7-8-15(18(22)17(14)21)23-16(24)10-26-19(25)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,23,24).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate has a molecular weight of 359.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 7698478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).