2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

C22H18BrCl2NO2 — CID 21079609

IUPAC2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(Br)c1
InChIInChI=1S/C22H18BrCl2NO2/c1-2-15-8-7-14(10-22(27)26-20-6-4-3-5-19(20)25)9-21(15)28-18-12-16(23)11-17(24)13-18/h3-9,11-13H,2,10H2,1H3,(H,26,27)
InChIKeyQXXIHWIXPHKMKB-UHFFFAOYSA-N
MW479.20 g/mol
LogP7.29
Rot. Bonds6

About 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (PubChem CID 21079609) has the molecular formula C22H18BrCl2NO2 and a molecular weight of 479.20 g/mol. Its IUPAC name is 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
PubChem CID21079609
Molecular FormulaC22H18BrCl2NO2
Molecular Weight479.20 g/mol
Exact Mass476.99
IUPAC Name2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(Br)c1
InChIInChI=1S/C22H18BrCl2NO2/c1-2-15-8-7-14(10-22(27)26-20-6-4-3-5-19(20)25)9-21(15)28-18-12-16(23)11-17(24)13-18/h3-9,11-13H,2,10H2,1H3,(H,26,27)
InChIKeyQXXIHWIXPHKMKB-UHFFFAOYSA-N
XLogP7.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.20
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-3-bromo-N-(2,6-dichlorophenyl)-
CID 3072815
N-(4-bromo-2-chloro-phenyl)-2-(3-phenoxyphenyl)acetamide
CID 57391207
2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
CID 21079661
N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide
CID 21079782
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 103867832
2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
CID 21079558
2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079559
2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide
CID 21079566
2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079568
2-[3-(3-bromo-2,5-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079606
2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079610
2-[3-(3-chloro-5-cyanophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
CID 21079623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (CID 21079609) is 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is QXXIHWIXPHKMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrCl2NO2/c1-2-15-8-7-14(10-22(27)26-20-6-4-3-5-19(20)25)9-21(15)28-18-12-16(23)11-17(24)13-18/h3-9,11-13H,2,10H2,1H3,(H,26,27).
What are the key properties of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 479.20 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21079609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).