methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C21H20F3N2O+ — CID 9261664

IUPACmethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19F3N2O/c1-26(13-15-10-11-16-6-2-3-7-17(16)12-15)14-20(27)25-19-9-5-4-8-18(19)21(22,23)24/h2-12H,13-14H2,1H3,(H,25,27)/p+1
InChIKeyKLPQZFHENJSBQV-UHFFFAOYSA-O
MW373.40 g/mol
LogP3.51
Rot. Bonds5

About methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9261664) has the molecular formula C21H20F3N2O+ and a molecular weight of 373.40 g/mol. Its IUPAC name is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID9261664
Molecular FormulaC21H20F3N2O+
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19F3N2O/c1-26(13-15-10-11-16-6-2-3-7-17(16)12-15)14-20(27)25-19-9-5-4-8-18(19)21(22,23)24/h2-12H,13-14H2,1H3,(H,25,27)/p+1
InChIKeyKLPQZFHENJSBQV-UHFFFAOYSA-O
XLogP3.51
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 7480397
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 7480380
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24681595
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 8615093
methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286316
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490

Frequently Asked Questions

What is the IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9261664) is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is KLPQZFHENJSBQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19F3N2O/c1-26(13-15-10-11-16-6-2-3-7-17(16)12-15)14-20(27)25-19-9-5-4-8-18(19)21(22,23)24/h2-12H,13-14H2,1H3,(H,25,27)/p+1.
What are the key properties of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 373.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).