2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide

C16H16BrNO4 — CID 19621791

IUPAC2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CO)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-21-14-7-11(9-19)13(17)8-15(14)22-10-16(20)18-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyPVKDVKZUBARUOF-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.97
Rot. Bonds6

About 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide

2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 19621791) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
PubChem CID19621791
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CO)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO4/c1-21-14-7-11(9-19)13(17)8-15(14)22-10-16(20)18-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyPVKDVKZUBARUOF-UHFFFAOYSA-N
XLogP2.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66544717
2-[5-bromo-4-(ethylaminomethyl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535177
2-[5-bromo-4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543096
2-[5-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535148
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-[5-bromo-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542946
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[5-bromo-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 6185154
2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
CID 62707255
2-[5-bromo-4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535238
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide (CID 19621791) is 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(CO)c(Br)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is PVKDVKZUBARUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-21-14-7-11(9-19)13(17)8-15(14)22-10-16(20)18-12-5-3-2-4-6-12/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide?
2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 366.21 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 19621791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).