[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C18H16BrNO5 — CID 8526262

IUPAC[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H16BrNO5/c1-12(21)13-3-2-4-16(9-13)24-11-18(23)25-10-17(22)20-15-7-5-14(19)6-8-15/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyXFEWNGHRSJAKQP-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.21
Rot. Bonds7

About [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 8526262) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID8526262
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H16BrNO5/c1-12(21)13-3-2-4-16(9-13)24-11-18(23)25-10-17(22)20-15-7-5-14(19)6-8-15/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyXFEWNGHRSJAKQP-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

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
N-(4-bromophenyl)-2-(3-carbamothioylphenoxy)acetamide
CID 28512642
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 8526262) is [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is XFEWNGHRSJAKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c1-12(21)13-3-2-4-16(9-13)24-11-18(23)25-10-17(22)20-15-7-5-14(19)6-8-15/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)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-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8526262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).