2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide

C17H18BrNO2 — CID 695854

IUPAC2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-6-12(2)8-15(7-11)19-17(20)10-21-16-5-4-14(18)9-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVOWSTAALHHOXLB-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 695854) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
PubChem CID695854
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-6-12(2)8-15(7-11)19-17(20)10-21-16-5-4-14(18)9-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyVOWSTAALHHOXLB-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 19201533
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide (CID 695854) is 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VOWSTAALHHOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-6-12(2)8-15(7-11)19-17(20)10-21-16-5-4-14(18)9-13(16)3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 695854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).