[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate

C19H20BrNO3 — CID 2378757

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO3/c1-13(2)16-5-3-4-6-17(16)21-18(22)12-24-19(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyHXGRZYSDJWNVDI-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.30
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate (PubChem CID 2378757) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
PubChem CID2378757
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO3/c1-13(2)16-5-3-4-6-17(16)21-18(22)12-24-19(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyHXGRZYSDJWNVDI-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate (CID 2378757) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate is CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate?
The InChIKey is HXGRZYSDJWNVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-13(2)16-5-3-4-6-17(16)21-18(22)12-24-19(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate has a molecular weight of 390.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 2378757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).