2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide

C11H11BrFNO2 — CID 2523046

IUPAC2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
SMILESO=C(COc1ccc(Br)cc1F)NC1CC1
InChIInChI=1S/C11H11BrFNO2/c12-7-1-4-10(9(13)5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyQSIGMANPFXMNRW-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide

2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide (PubChem CID 2523046) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
PubChem CID2523046
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
SMILESO=C(COc1ccc(Br)cc1F)NC1CC1
InChIInChI=1S/C11H11BrFNO2/c12-7-1-4-10(9(13)5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyQSIGMANPFXMNRW-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide (CID 2523046) is 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide is O=C(COc1ccc(Br)cc1F)NC1CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide?
The InChIKey is QSIGMANPFXMNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-1-4-10(9(13)5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide?
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide has a molecular weight of 288.12 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 2523046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).