[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate

C11H11Br2NO3 — CID 4068805

IUPAC[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-2-11(16)17-6-10(15)14-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyHPYMZAJVVQMSAX-UHFFFAOYSA-N
MW365.02 g/mol
LogP3.10
Rot. Bonds4

About [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate

[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate (PubChem CID 4068805) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate
PubChem CID4068805
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO3/c1-2-11(16)17-6-10(15)14-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyHPYMZAJVVQMSAX-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-methoxyacetamide
CID 885967
N-(4-bromophenyl)-2-methoxyacetamide
CID 532084
Acetic acid (4-bromo-3-methyl-phenylcarbamoyl)-methyl ester
CID 2109630
Acetoxyacetanilide
CID 247117
2',4'-Dibromoacetanilide
CID 141027
[2-(4-Bromoanilino)-2-oxoethyl] 2-acetamidopropanoate
CID 2894495
[2-(3-Bromoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 5185615
[2-(2,4-Dibromoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2359506
[2-(2,4-Dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate
CID 2392829
4-O-[2-(3-bromoanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 5896753
[2-(3-bromoanilino)-2-oxoethyl] (E)-but-2-enoate
CID 6022464
N-(2-bromophenyl)-2-methoxyacetamide
CID 885708

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate (CID 4068805) is [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate?
The InChIKey is HPYMZAJVVQMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3/c1-2-11(16)17-6-10(15)14-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate?
[2-(2,4-dibromoanilino)-2-oxoethyl] propanoate has a molecular weight of 365.02 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromoanilino)-2-oxoethyl] propanoate is sourced from PubChem (CID 4068805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).