N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide

C14H13BrN2O2 — CID 110862951

IUPACN-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
SMILESCc1ccc(NC(=O)COc2cccnc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)17-14(18)9-19-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyWGSJZVUTCHDYNK-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.17
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide

N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide (PubChem CID 110862951) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
PubChem CID110862951
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
SMILESCc1ccc(NC(=O)COc2cccnc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)17-14(18)9-19-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyWGSJZVUTCHDYNK-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487929
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
CID 39009374
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 19167845
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide (CID 110862951) is N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide is Cc1ccc(NC(=O)COc2cccnc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide?
The InChIKey is WGSJZVUTCHDYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-10-4-5-13(12(15)7-10)17-14(18)9-19-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide?
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide has a molecular weight of 321.17 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 110862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).