2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H16BrFN2O2 — CID 35604940

IUPAC2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-18-5-4-16-12(17)8-15-7-9-6-10(13)2-3-11(9)14/h2-3,6,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyFUJDDXYPLDFYOJ-UHFFFAOYSA-N
MW319.17 g/mol
LogP1.44
Rot. Bonds7

About 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 35604940) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID35604940
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-18-5-4-16-12(17)8-15-7-9-6-10(13)2-3-11(9)14/h2-3,6,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyFUJDDXYPLDFYOJ-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 35604940) is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is FUJDDXYPLDFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-18-5-4-16-12(17)8-15-7-9-6-10(13)2-3-11(9)14/h2-3,6,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 319.17 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 35604940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).