N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide

C11H14BrFN2O2 — CID 115738296

IUPACN-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-17-5-4-14-7-11(16)15-8-2-3-10(13)9(12)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeySSAOCGBFZAFQPS-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.76
Rot. Bonds6

About N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide

N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 115738296) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID115738296
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-17-5-4-14-7-11(16)15-8-2-3-10(13)9(12)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeySSAOCGBFZAFQPS-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(propylamino)acetamide
CID 104778142
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide (CID 115738296) is N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is SSAOCGBFZAFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-17-5-4-14-7-11(16)15-8-2-3-10(13)9(12)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide?
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 305.15 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 115738296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).