N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C17H17BrN2O3 — CID 78799662

IUPACN-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C17H17BrN2O3/c1-3-4-12-5-7-14(15(9-12)22-2)23-11-17(21)20-16-8-6-13(18)10-19-16/h3,5-10H,1,4,11H2,2H3,(H,19,20,21)
InChIKeyOOVYZLNVDLDGMG-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.60
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 78799662) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID78799662
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C17H17BrN2O3/c1-3-4-12-5-7-14(15(9-12)22-2)23-11-17(21)20-16-8-6-13(18)10-19-16/h3,5-10H,1,4,11H2,2H3,(H,19,20,21)
InChIKeyOOVYZLNVDLDGMG-UHFFFAOYSA-N
XLogP3.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60551625
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 78799662) is N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccc(Br)cn2)c(OC)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is OOVYZLNVDLDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-4-12-5-7-14(15(9-12)22-2)23-11-17(21)20-16-8-6-13(18)10-19-16/h3,5-10H,1,4,11H2,2H3,(H,19,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 78799662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).