2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide

C11H15ClN2O — CID 115162284

IUPAC2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CCl)c1ccncc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,8-14-10(15)7-12)9-3-5-13-6-4-9/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyIPBUARBDPMNFOK-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide

2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide (PubChem CID 115162284) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
PubChem CID115162284
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CCl)c1ccncc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,8-14-10(15)7-12)9-3-5-13-6-4-9/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyIPBUARBDPMNFOK-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.71
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

3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylphenyl)propanamide
CID 166227449
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide (CID 115162284) is 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CCl)c1ccncc1.
What is the InChIKey of 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide?
The InChIKey is IPBUARBDPMNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2,8-14-10(15)7-12)9-3-5-13-6-4-9/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide?
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide has a molecular weight of 226.71 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide is sourced from PubChem (CID 115162284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).