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

C10H13ClN2O — CID 60913202

IUPAC2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CCl
InChIInChI=1S/C10H13ClN2O/c1-13(10(14)8-11)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyXZTQWCXCQOERNL-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.32
Rot. Bonds4

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

2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 60913202) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID60913202
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CCl
InChIInChI=1S/C10H13ClN2O/c1-13(10(14)8-11)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyXZTQWCXCQOERNL-UHFFFAOYSA-N
XLogP1.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 60913202) is 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is XZTQWCXCQOERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-13(10(14)8-11)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 212.68 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 60913202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).