2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide

C12H16BrClN2O2 — CID 12906196

IUPAC2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(Br)nc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-4-16(5-2)12(17)8(3)18-9-6-7-10(13)15-11(9)14/h6-8H,4-5H2,1-3H3
InChIKeyRCNQCCOLEXJARF-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.13
Rot. Bonds5

About 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide

2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide (PubChem CID 12906196) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
PubChem CID12906196
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(Br)nc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-4-16(5-2)12(17)8(3)18-9-6-7-10(13)15-11(9)14/h6-8H,4-5H2,1-3H3
InChIKeyRCNQCCOLEXJARF-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-(4-bromo-2-carbamothioylphenoxy)-N,N-diethylpropanamide
CID 83145220
3-bromo-4-[1-(diethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82914083
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-(2-acetyl-4-aminophenoxy)-N,N-diethylpropanamide
CID 116540885
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
3-[1-(diethylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
CID 63338401
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide (CID 12906196) is 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc(Br)nc1Cl.
What is the InChIKey of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The InChIKey is RCNQCCOLEXJARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-4-16(5-2)12(17)8(3)18-9-6-7-10(13)15-11(9)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide has a molecular weight of 335.63 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide is sourced from PubChem (CID 12906196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).