2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C9H11ClN2O — CID 19420340

IUPAC2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CCl
InChIInChI=1S/C9H11ClN2O/c1-12(9(13)5-10)7-8-3-2-4-11-6-8/h2-4,6H,5,7H2,1H3
InChIKeyPPVUFLLGHOONMG-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.28
Rot. Bonds3

About 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 19420340) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID19420340
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CCl
InChIInChI=1S/C9H11ClN2O/c1-12(9(13)5-10)7-8-3-2-4-11-6-8/h2-4,6H,5,7H2,1H3
InChIKeyPPVUFLLGHOONMG-UHFFFAOYSA-N
XLogP1.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.28
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-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 19420340) is 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PPVUFLLGHOONMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(9(13)5-10)7-8-3-2-4-11-6-8/h2-4,6H,5,7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 198.65 g/mol, XLogP of 1.28, 3 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 19420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).