2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide

C11H9BrFNO2 — CID 8808257

IUPAC2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h1,3-4,6H,5,7H2,(H,14,15)
InChIKeyAXLJXYDHXAJHBJ-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide

2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide (PubChem CID 8808257) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
PubChem CID8808257
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h1,3-4,6H,5,7H2,(H,14,15)
InChIKeyAXLJXYDHXAJHBJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylacetamide
CID 55068634
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-N-prop-2-ynylacetamide
CID 107688451
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 102948707
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide (CID 8808257) is 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide?
The InChIKey is AXLJXYDHXAJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(12)6-9(10)13/h1,3-4,6H,5,7H2,(H,14,15).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide?
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide has a molecular weight of 286.10 g/mol, XLogP of 1.72, 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-prop-2-ynylacetamide is sourced from PubChem (CID 8808257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).