2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C18H19ClF3N2O2+ — CID 9252465

IUPAC2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-24(10-11-26-14-8-6-13(19)7-9-14)12-17(25)23-16-5-3-2-4-15(16)18(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyWPJFQUJQKMCSAH-UHFFFAOYSA-O
MW387.81 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9252465) has the molecular formula C18H19ClF3N2O2+ and a molecular weight of 387.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID9252465
Molecular FormulaC18H19ClF3N2O2+
Molecular Weight387.81 g/mol
Exact Mass387.11
IUPAC Name2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-24(10-11-26-14-8-6-13(19)7-9-14)12-17(25)23-16-5-3-2-4-15(16)18(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)/p+1
InChIKeyWPJFQUJQKMCSAH-UHFFFAOYSA-O
XLogP2.89
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797642
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9252465) is 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is C[NH+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is WPJFQUJQKMCSAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-24(10-11-26-14-8-6-13(19)7-9-14)12-17(25)23-16-5-3-2-4-15(16)18(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)/p+1.
What are the key properties of 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 387.81 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9252465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).