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

C21H16BrCl2NO2 — CID 21079566

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C21H16BrCl2NO2/c1-13-6-7-14(11-21(26)25-18-5-3-2-4-17(18)24)10-19(13)27-20-12-15(23)8-9-16(20)22/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyUTAXNNGXCBARAO-UHFFFAOYSA-N
MW465.17 g/mol
LogP7.04
Rot. Bonds5

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

2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide (PubChem CID 21079566) has the molecular formula C21H16BrCl2NO2 and a molecular weight of 465.17 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide
PubChem CID21079566
Molecular FormulaC21H16BrCl2NO2
Molecular Weight465.17 g/mol
Exact Mass462.97
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C21H16BrCl2NO2/c1-13-6-7-14(11-21(26)25-18-5-3-2-4-17(18)24)10-19(13)27-20-12-15(23)8-9-16(20)22/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyUTAXNNGXCBARAO-UHFFFAOYSA-N
XLogP7.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.17
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 57391207
CID 57391207
CID 21079661
CID 21079661
CID 21079782
CID 21079782
CID 58855805
CID 58855805
CID 141169346
CID 141169346
CID 1760582
CID 1760582
CID 49768050
CID 49768050
CID 49768051
CID 49768051
CID 21079558
CID 21079558
CID 21079559
CID 21079559
CID 21079563
CID 21079563
CID 21079567
CID 21079567

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide (CID 21079566) is 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide is Cc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is UTAXNNGXCBARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrCl2NO2/c1-13-6-7-14(11-21(26)25-18-5-3-2-4-17(18)24)10-19(13)27-20-12-15(23)8-9-16(20)22/h2-10,12H,11H2,1H3,(H,25,26).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 465.17 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21079566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).