2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride

C19H22ClF3N2O3 — CID 119773689

IUPAC2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C19H21F3N2O3.ClH/c1-26-10-9-23-12-18(25)24-16-5-7-17(8-6-16)27-13-14-3-2-4-15(11-14)19(20,21)22;/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25);1H
InChIKeyUENXGRWTNNZHHQ-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.88
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride (PubChem CID 119773689) has the molecular formula C19H22ClF3N2O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
PubChem CID119773689
Molecular FormulaC19H22ClF3N2O3
Molecular Weight418.84 g/mol
Exact Mass418.13
IUPAC Name2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C19H21F3N2O3.ClH/c1-26-10-9-23-12-18(25)24-16-5-7-17(8-6-16)27-13-14-3-2-4-15(11-14)19(20,21)22;/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25);1H
InChIKeyUENXGRWTNNZHHQ-UHFFFAOYSA-N
XLogP3.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride (CID 119773689) is 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride?
The InChIKey is UENXGRWTNNZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3.ClH/c1-26-10-9-23-12-18(25)24-16-5-7-17(8-6-16)27-13-14-3-2-4-15(11-14)19(20,21)22;/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride has a molecular weight of 418.84 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).