2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide

C22H20BrNO2 — CID 2233417

IUPAC2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br
InChIInChI=1S/C22H20BrNO2/c1-15-13-21(16(2)12-19(15)23)26-14-22(25)24-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyVVZYOUXBTLHUGT-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.75
Rot. Bonds5

About 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide

2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide (PubChem CID 2233417) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
PubChem CID2233417
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC Name2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br
InChIInChI=1S/C22H20BrNO2/c1-15-13-21(16(2)12-19(15)23)26-14-22(25)24-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyVVZYOUXBTLHUGT-UHFFFAOYSA-N
XLogP5.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
CID 7701761
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 1253918
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide (CID 2233417) is 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide?
The InChIKey is VVZYOUXBTLHUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO2/c1-15-13-21(16(2)12-19(15)23)26-14-22(25)24-20-11-7-6-10-18(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide?
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide has a molecular weight of 410.31 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2233417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).