N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H19ClF2N2O3 — CID 119700388

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-19-7-6-16-9-12(18)17-8-10-4-2-3-5-11(10)20-13(14)15;/h2-5,13,16H,6-9H2,1H3,(H,17,18);1H
InChIKeySDHJVLFZYFSTOS-UHFFFAOYSA-N
MW324.75 g/mol
LogP1.56
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119700388) has the molecular formula C13H19ClF2N2O3 and a molecular weight of 324.75 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119700388
Molecular FormulaC13H19ClF2N2O3
Molecular Weight324.75 g/mol
Exact Mass324.11
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-19-7-6-16-9-12(18)17-8-10-4-2-3-5-11(10)20-13(14)15;/h2-5,13,16H,6-9H2,1H3,(H,17,18);1H
InChIKeySDHJVLFZYFSTOS-UHFFFAOYSA-N
XLogP1.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;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-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 79282538
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942491
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119869683
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119700388) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCc1ccccc1OC(F)F.Cl.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is SDHJVLFZYFSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3.ClH/c1-19-7-6-16-9-12(18)17-8-10-4-2-3-5-11(10)20-13(14)15;/h2-5,13,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 324.75 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119700388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).