2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide

C15H15BrN2O2 — CID 2953636

IUPAC2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H15BrN2O2/c1-11(20-14-7-5-12(16)6-8-14)15(19)18-10-13-4-2-3-9-17-13/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyREMYWSNKZZITLZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide

2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 2953636) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID2953636
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H15BrN2O2/c1-11(20-14-7-5-12(16)6-8-14)15(19)18-10-13-4-2-3-9-17-13/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyREMYWSNKZZITLZ-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.93
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-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide (CID 2953636) is 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is REMYWSNKZZITLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-11(20-14-7-5-12(16)6-8-14)15(19)18-10-13-4-2-3-9-17-13/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide?
2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 2953636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).