[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate

C18H18BrNO3 — CID 2485606

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H18BrNO3/c1-2-20(16-6-4-3-5-7-16)17(21)13-23-18(22)12-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3
InChIKeyRQECSKNRFZYRJK-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.59
Rot. Bonds6

About [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 2485606) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID2485606
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H18BrNO3/c1-2-20(16-6-4-3-5-7-16)17(21)13-23-18(22)12-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3
InChIKeyRQECSKNRFZYRJK-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 2485606) is [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate is CCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is RQECSKNRFZYRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-2-20(16-6-4-3-5-7-16)17(21)13-23-18(22)12-14-8-10-15(19)11-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 376.25 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 2485606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).