N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H19ClFN3O3 — CID 119705055

IUPACN-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(NC(C)=O)ccc1F.Cl
InChIInChI=1S/C13H18FN3O3.ClH/c1-9(18)16-10-3-4-11(14)12(7-10)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyOUKBZWQGUPMOBA-UHFFFAOYSA-N
MW319.76 g/mol
LogP1.38
Rot. Bonds7

About N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119705055) has the molecular formula C13H19ClFN3O3 and a molecular weight of 319.76 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119705055
Molecular FormulaC13H19ClFN3O3
Molecular Weight319.76 g/mol
Exact Mass319.11
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(NC(C)=O)ccc1F.Cl
InChIInChI=1S/C13H18FN3O3.ClH/c1-9(18)16-10-3-4-11(14)12(7-10)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyOUKBZWQGUPMOBA-UHFFFAOYSA-N
XLogP1.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757138

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119705055) is N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(NC(C)=O)ccc1F.Cl.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is OUKBZWQGUPMOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3.ClH/c1-9(18)16-10-3-4-11(14)12(7-10)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 319.76 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119705055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).