N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H20ClFN2O3 — CID 119742218

IUPACN-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNCCOC)cc1F.Cl
InChIInChI=1S/C13H19FN2O3.ClH/c1-3-19-12-5-4-10(8-11(12)14)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyYAXLBNFLIGDQLK-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.82
Rot. Bonds8

About N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119742218) has the molecular formula C13H20ClFN2O3 and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119742218
Molecular FormulaC13H20ClFN2O3
Molecular Weight306.77 g/mol
Exact Mass306.11
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNCCOC)cc1F.Cl
InChIInChI=1S/C13H19FN2O3.ClH/c1-3-19-12-5-4-10(8-11(12)14)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyYAXLBNFLIGDQLK-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.82
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

N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119742218) is N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is CCOc1ccc(NC(=O)CNCCOC)cc1F.Cl.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is YAXLBNFLIGDQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3.ClH/c1-3-19-12-5-4-10(8-11(12)14)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 306.77 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119742218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).