N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

C13H20ClFN2O2 — CID 119683673

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11;/h3-6,15H,7-10H2,1-2H3;1H
InChIKeyKQQAYHCZJWJIFY-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.44
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119683673) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
PubChem CID119683673
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11;/h3-6,15H,7-10H2,1-2H3;1H
InChIKeyKQQAYHCZJWJIFY-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-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

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119740740
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569093

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (CID 119683673) is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is COCCNCC(=O)N(C)Cc1ccc(F)cc1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is KQQAYHCZJWJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11;/h3-6,15H,7-10H2,1-2H3;1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119683673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).