2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride

C15H21ClF3N3O3 — CID 119732278

IUPAC2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1.Cl
InChIInChI=1S/C15H20F3N3O3.ClH/c1-21(14(23)15(16,17)18)10-11-4-3-5-12(8-11)20-13(22)9-19-6-7-24-2;/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,20,22);1H
InChIKeyLZZSGYFGJYBMMF-UHFFFAOYSA-N
MW383.80 g/mol
LogP1.80
Rot. Bonds8

About 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride

2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride (PubChem CID 119732278) has the molecular formula C15H21ClF3N3O3 and a molecular weight of 383.80 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
PubChem CID119732278
Molecular FormulaC15H21ClF3N3O3
Molecular Weight383.80 g/mol
Exact Mass383.12
IUPAC Name2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1.Cl
InChIInChI=1S/C15H20F3N3O3.ClH/c1-21(14(23)15(16,17)18)10-11-4-3-5-12(8-11)20-13(22)9-19-6-7-24-2;/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,20,22);1H
InChIKeyLZZSGYFGJYBMMF-UHFFFAOYSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride (CID 119732278) is 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride is COCCNCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride?
The InChIKey is LZZSGYFGJYBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3.ClH/c1-21(14(23)15(16,17)18)10-11-4-3-5-12(8-11)20-13(22)9-19-6-7-24-2;/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,20,22);1H.
What are the key properties of 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride?
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride has a molecular weight of 383.80 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119732278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).