2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide

C13H17ClN2O — CID 104823455

IUPAC2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(C(Cl)C(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-6-7-10(8-15-9)12(14)13(17)16-11-4-2-3-5-11/h6-8,11-12H,2-5H2,1H3,(H,16,17)
InChIKeyTYESJNJLTYSENS-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide

2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 104823455) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID104823455
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(C(Cl)C(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-6-7-10(8-15-9)12(14)13(17)16-11-4-2-3-5-11/h6-8,11-12H,2-5H2,1H3,(H,16,17)
InChIKeyTYESJNJLTYSENS-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide (CID 104823455) is 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(C(Cl)C(=O)NC2CCCC2)cn1.
What is the InChIKey of 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is TYESJNJLTYSENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-6-7-10(8-15-9)12(14)13(17)16-11-4-2-3-5-11/h6-8,11-12H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide?
2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 252.74 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 104823455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).