2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide

C13H19ClN2O2 — CID 65102583

IUPAC2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)6-8-16-13(17)10(3)18-11-5-4-7-15-12(11)14/h4-5,7,9-10H,6,8H2,1-3H3,(H,16,17)
InChIKeyCNDWFXHLXHGFNG-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds6

About 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide

2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide (PubChem CID 65102583) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
PubChem CID65102583
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)6-8-16-13(17)10(3)18-11-5-4-7-15-12(11)14/h4-5,7,9-10H,6,8H2,1-3H3,(H,16,17)
InChIKeyCNDWFXHLXHGFNG-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-(2-phenylethyl)propanamide
CID 10990375
2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
CID 43326211
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 60907832
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
3-butan-2-yloxy-2-chloropyridine
CID 65102026
N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide
CID 57062019
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide (CID 65102583) is 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
The InChIKey is CNDWFXHLXHGFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)6-8-16-13(17)10(3)18-11-5-4-7-15-12(11)14/h4-5,7,9-10H,6,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide?
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 65102583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).