2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

C20H24BrFN2O2 — CID 8948095

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C20H24BrFN2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(22)11-18(19)21/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyBRYUSDJTWMSXAO-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.13
Rot. Bonds9

About 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (PubChem CID 8948095) has the molecular formula C20H24BrFN2O2 and a molecular weight of 423.33 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
PubChem CID8948095
Molecular FormulaC20H24BrFN2O2
Molecular Weight423.33 g/mol
Exact Mass422.10
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C20H24BrFN2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(22)11-18(19)21/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyBRYUSDJTWMSXAO-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (CID 8948095) is 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is CCN(CC)Cc1ccc(CNC(=O)COc2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is BRYUSDJTWMSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O2/c1-3-24(4-2)13-16-7-5-15(6-8-16)12-23-20(25)14-26-19-10-9-17(22)11-18(19)21/h5-11H,3-4,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 423.33 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8948095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).