2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide

C16H16BrNO3 — CID 9370222

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)cc2Br)c(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-6-15(12(17)7-10)21-9-16(20)18-13-5-3-11(2)8-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyGPQGKNCYNOFTNF-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 9370222) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID9370222
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C)cc2Br)c(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-6-15(12(17)7-10)21-9-16(20)18-13-5-3-11(2)8-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyGPQGKNCYNOFTNF-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 55027884
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide (CID 9370222) is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C)cc2Br)c(O)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is GPQGKNCYNOFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-4-6-15(12(17)7-10)21-9-16(20)18-13-5-3-11(2)8-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 9370222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).