2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide

C16H15BrFNO4 — CID 45371704

IUPAC2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO4/c1-22-14-7-10(8-20)6-13(17)16(14)23-9-15(21)19-12-4-2-11(18)3-5-12/h2-7,20H,8-9H2,1H3,(H,19,21)
InChIKeyWFZGZUWQJAPMNY-UHFFFAOYSA-N
MW384.20 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide

2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 45371704) has the molecular formula C16H15BrFNO4 and a molecular weight of 384.20 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID45371704
Molecular FormulaC16H15BrFNO4
Molecular Weight384.20 g/mol
Exact Mass383.02
IUPAC Name2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO4/c1-22-14-7-10(8-20)6-13(17)16(14)23-9-15(21)19-12-4-2-11(18)3-5-12/h2-7,20H,8-9H2,1H3,(H,19,21)
InChIKeyWFZGZUWQJAPMNY-UHFFFAOYSA-N
XLogP3.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
N-[(E)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126248504
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
2-[[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]propanoic acid
CID 66528291
N'-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126157083
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486376

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (CID 45371704) is 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is COc1cc(CO)cc(Br)c1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is WFZGZUWQJAPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4/c1-22-14-7-10(8-20)6-13(17)16(14)23-9-15(21)19-12-4-2-11(18)3-5-12/h2-7,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 384.20 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 45371704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).