2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide

C12H14BrFN2O2 — CID 127267066

IUPAC2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide
SMILESO=C(COc1ccnc(Br)c1F)NC1CCCC1
InChIInChI=1S/C12H14BrFN2O2/c13-12-11(14)9(5-6-15-12)18-7-10(17)16-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyIYCMKBNGECRNOI-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.42
Rot. Bonds4

About 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide

2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide (PubChem CID 127267066) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide
PubChem CID127267066
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide
SMILESO=C(COc1ccnc(Br)c1F)NC1CCCC1
InChIInChI=1S/C12H14BrFN2O2/c13-12-11(14)9(5-6-15-12)18-7-10(17)16-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyIYCMKBNGECRNOI-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide
CID 172906922
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide (CID 127267066) is 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide is O=C(COc1ccnc(Br)c1F)NC1CCCC1.
What is the InChIKey of 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide?
The InChIKey is IYCMKBNGECRNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-12-11(14)9(5-6-15-12)18-7-10(17)16-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,17).
What are the key properties of 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide?
2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide has a molecular weight of 317.16 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide is sourced from PubChem (CID 127267066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).