2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide

C14H12BrFN2O2 — CID 2620956

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCc1ccncc1
InChIInChI=1S/C14H12BrFN2O2/c15-11-1-2-13(12(16)7-11)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19)
InChIKeyVFUPKGORGYWCIF-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 2620956) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID2620956
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCc1ccncc1
InChIInChI=1S/C14H12BrFN2O2/c15-11-1-2-13(12(16)7-11)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19)
InChIKeyVFUPKGORGYWCIF-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241530
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
1-(4-bromo-2-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 47032119
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266099

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 2620956) is 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc(Br)cc1F)NCc1ccncc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is VFUPKGORGYWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-11-1-2-13(12(16)7-11)20-9-14(19)18-8-10-3-5-17-6-4-10/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 339.16 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 2620956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).