2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide

C14H13BrN2O2 — CID 795956

IUPAC2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Br)cc2)n1
InChIInChI=1S/C14H13BrN2O2/c1-10-3-2-4-13(16-10)17-14(18)9-19-12-7-5-11(15)6-8-12/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyPWFKBCNVKFIJGN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.17
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide

2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 795956) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID795956
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Br)cc2)n1
InChIInChI=1S/C14H13BrN2O2/c1-10-3-2-4-13(16-10)17-14(18)9-19-12-7-5-11(15)6-8-12/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyPWFKBCNVKFIJGN-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide (CID 795956) is 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)COc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is PWFKBCNVKFIJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-10-3-2-4-13(16-10)17-14(18)9-19-12-7-5-11(15)6-8-12/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide?
2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide 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 2-(4-bromophenoxy)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 795956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).