N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide

C11H14BrClN2O — CID 169150809

IUPACN-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
SMILESCc1nc(Br)ccc1C(C)(C)NC(=O)CCl
InChIInChI=1S/C11H14BrClN2O/c1-7-8(4-5-9(12)14-7)11(2,3)15-10(16)6-13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyNYCUNXWPOANNIS-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.74
Rot. Bonds3

About N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide

N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide (PubChem CID 169150809) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
PubChem CID169150809
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
SMILESCc1nc(Br)ccc1C(C)(C)NC(=O)CCl
InChIInChI=1S/C11H14BrClN2O/c1-7-8(4-5-9(12)14-7)11(2,3)15-10(16)6-13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyNYCUNXWPOANNIS-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide (CID 169150809) is N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide is Cc1nc(Br)ccc1C(C)(C)NC(=O)CCl.
What is the InChIKey of N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide?
The InChIKey is NYCUNXWPOANNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7-8(4-5-9(12)14-7)11(2,3)15-10(16)6-13/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide?
N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide has a molecular weight of 305.60 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 169150809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).