2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

C19H17BrN2O4 — CID 2214258

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(Br)c1
InChIInChI=1S/C19H17BrN2O4/c1-11(2)12-7-8-16(15(20)9-12)26-10-17(23)21-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyWPIDFTXHPXSYQP-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2214258) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2214258
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(Br)c1
InChIInChI=1S/C19H17BrN2O4/c1-11(2)12-7-8-16(15(20)9-12)26-10-17(23)21-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyWPIDFTXHPXSYQP-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (CID 2214258) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is CC(C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is WPIDFTXHPXSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-11(2)12-7-8-16(15(20)9-12)26-10-17(23)21-22-18(24)13-5-3-4-6-14(13)19(22)25/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 417.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2214258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).