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

C16H17BrN2O2 — CID 51164070

IUPAC2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H17BrN2O2/c1-12(21-15-7-5-13(17)6-8-15)16(20)19-11-9-14-4-2-3-10-18-14/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyAPOQLTGBAOXLSH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.97
Rot. Bonds6

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

2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 51164070) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID51164070
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H17BrN2O2/c1-12(21-15-7-5-13(17)6-8-15)16(20)19-11-9-14-4-2-3-10-18-14/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyAPOQLTGBAOXLSH-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
(2R)-2-naphthalen-2-yloxy-N-(3-pyridin-2-ylpropyl)propanamide
CID 97117703
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(2S)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 40697022
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943721
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide (CID 51164070) is 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is APOQLTGBAOXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-12(21-15-7-5-13(17)6-8-15)16(20)19-11-9-14-4-2-3-10-18-14/h2-8,10,12H,9,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 51164070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).