N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide

C15H14BrFN2O2 — CID 110495801

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ncc(F)cc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-2-10-4-3-5-12(6-10)21-9-14(20)19-15-13(16)7-11(17)8-18-15/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeyABGPECKQFIVQRO-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.56
Rot. Bonds5

About N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide

N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide (PubChem CID 110495801) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
PubChem CID110495801
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ncc(F)cc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-2-10-4-3-5-12(6-10)21-9-14(20)19-15-13(16)7-11(17)8-18-15/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeyABGPECKQFIVQRO-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(3-ethoxy-2,6-difluorophenyl)ethyl)-
CID 3001150
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-2-ylacetamide
CID 2971089
2-(2,3-Dihydro-1H-inden-5-yloxy)-N-(4-methyl-2-pyridinyl)acetamide
CID 17173832
2-Phenoxy-N-(2-pyridinyl)acetamide
CID 816671
N-[(5-bromopyridin-2-yl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1227129
1-[(4-Bromo-2,5-dimethylphenoxy)acetyl]-4-(2-pyridinyl)piperazine
CID 1255744
2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 1416750
N-((5-bromopyridin-2-yl)carbamothioyl)-2-phenoxyacetamide
CID 1870401
N-benzyl-2-(4-bromophenoxy)-N-pyridin-2-ylacetamide
CID 2928770

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide (CID 110495801) is N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2ncc(F)cc2Br)c1.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The InChIKey is ABGPECKQFIVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-10-4-3-5-12(6-10)21-9-14(20)19-15-13(16)7-11(17)8-18-15/h3-8H,2,9H2,1H3,(H,18,19,20).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 110495801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).