[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

C18H16BrNO5 — CID 7970486

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H16BrNO5/c1-12(21)20-15-7-5-13(6-8-15)17(22)10-25-18(23)11-24-16-4-2-3-14(19)9-16/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyBNUTVYWZRRIXFE-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.21
Rot. Bonds7

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 7970486) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID7970486
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H16BrNO5/c1-12(21)20-15-7-5-13(6-8-15)17(22)10-25-18(23)11-24-16-4-2-3-14(19)9-16/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyBNUTVYWZRRIXFE-UHFFFAOYSA-N
XLogP3.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694690
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 2388045
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-bromophenoxy)acetate
CID 1193360
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 7970486) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is CC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is BNUTVYWZRRIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c1-12(21)20-15-7-5-13(6-8-15)17(22)10-25-18(23)11-24-16-4-2-3-14(19)9-16/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 406.23 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).