2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide

C11H15ClN2O2 — CID 146102795

IUPAC2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
SMILESCOCC(NC(=O)C(C)Cl)c1ccccn1
InChIInChI=1S/C11H15ClN2O2/c1-8(12)11(15)14-10(7-16-2)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyPEJLBCRLBNBJNA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.51
Rot. Bonds5

About 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide

2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide (PubChem CID 146102795) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
PubChem CID146102795
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
SMILESCOCC(NC(=O)C(C)Cl)c1ccccn1
InChIInChI=1S/C11H15ClN2O2/c1-8(12)11(15)14-10(7-16-2)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyPEJLBCRLBNBJNA-UHFFFAOYSA-N
XLogP1.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide (CID 146102795) is 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide is COCC(NC(=O)C(C)Cl)c1ccccn1.
What is the InChIKey of 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide?
The InChIKey is PEJLBCRLBNBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(12)11(15)14-10(7-16-2)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide?
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 146102795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).