2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide

C17H18BrFN2O2 — CID 9252759

IUPAC2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CCOc1cccc(Br)c1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O2/c1-21(9-10-23-16-4-2-3-13(18)11-16)12-17(22)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyRXLJIDNXDKPSQW-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9252759) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9252759
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CCOc1cccc(Br)c1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18BrFN2O2/c1-21(9-10-23-16-4-2-3-13(18)11-16)12-17(22)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyRXLJIDNXDKPSQW-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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Related Compounds

4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55841289
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 9252759) is 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CCOc1cccc(Br)c1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is RXLJIDNXDKPSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c1-21(9-10-23-16-4-2-3-13(18)11-16)12-17(22)20-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)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 2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9252759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).