2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide

C17H17BrFNO2 — CID 1317510

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(2)12-6-7-16(15(18)8-12)22-10-17(21)20-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyIYYQLLIYBYMNGP-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.73
Rot. Bonds5

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide (PubChem CID 1317510) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
PubChem CID1317510
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(2)12-6-7-16(15(18)8-12)22-10-17(21)20-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyIYYQLLIYBYMNGP-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide (CID 1317510) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide is CC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The InChIKey is IYYQLLIYBYMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(2)12-6-7-16(15(18)8-12)22-10-17(21)20-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1317510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).