N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C17H18BrFN2O2 — CID 2463361

IUPACN-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-8-7-13(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyMVNZBILIXYLMRT-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.54
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 2463361) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID2463361
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-8-7-13(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyMVNZBILIXYLMRT-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 2463361) is N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is CN(CCOc1ccccc1)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is MVNZBILIXYLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-8-7-13(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 381.25 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 2463361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).