3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide

C11H15ClN2O — CID 62727761

IUPAC3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(CCl)C(=O)NCCc1ccncc1
InChIInChI=1S/C11H15ClN2O/c1-9(8-12)11(15)14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,14,15)
InChIKeyGHZJHWXJQMHXLB-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.62
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 62727761) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID62727761
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(CCl)C(=O)NCCc1ccncc1
InChIInChI=1S/C11H15ClN2O/c1-9(8-12)11(15)14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,14,15)
InChIKeyGHZJHWXJQMHXLB-UHFFFAOYSA-N
XLogP1.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
CID 54944221
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-acetamido-N-(2-pyridin-4-ylethyl)-3-sulfanylpropanamide
CID 107769161
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 62727761) is 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide is CC(CCl)C(=O)NCCc1ccncc1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is GHZJHWXJQMHXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9(8-12)11(15)14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,14,15).
What are the key properties of 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 62727761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).