2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide

C14H13BrN2O3 — CID 103756161

IUPAC2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)nc2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-11-4-2-3-10(7-11)17-14(18)9-20-12-5-6-13(15)16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJQPOSEPCFZMJIK-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.87
Rot. Bonds5

About 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide

2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 103756161) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
PubChem CID103756161
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)nc2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-11-4-2-3-10(7-11)17-14(18)9-20-12-5-6-13(15)16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyJQPOSEPCFZMJIK-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide (CID 103756161) is 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(Br)nc2)c1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JQPOSEPCFZMJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-11-4-2-3-10(7-11)17-14(18)9-20-12-5-6-13(15)16-8-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide?
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 337.17 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 103756161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).