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

C14H19BrFN3O3 — CID 47057317

IUPAC2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN3O3/c1-19(8-10-7-11(15)3-4-12(10)16)9-13(20)18-14(21)17-5-6-22-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyFQXLKRUMBHZVEF-UHFFFAOYSA-N
MW376.23 g/mol
LogP1.49
Rot. Bonds7

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

2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 47057317) has the molecular formula C14H19BrFN3O3 and a molecular weight of 376.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID47057317
Molecular FormulaC14H19BrFN3O3
Molecular Weight376.23 g/mol
Exact Mass375.06
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN3O3/c1-19(8-10-7-11(15)3-4-12(10)16)9-13(20)18-14(21)17-5-6-22-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyFQXLKRUMBHZVEF-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 47057317) is 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN(C)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is FQXLKRUMBHZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O3/c1-19(8-10-7-11(15)3-4-12(10)16)9-13(20)18-14(21)17-5-6-22-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 376.23 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 47057317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).