2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide

C13H9BrClFN2O2 — CID 2522815

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cccnc1Cl
InChIInChI=1S/C13H9BrClFN2O2/c14-8-3-4-11(9(16)6-8)20-7-12(19)18-10-2-1-5-17-13(10)15/h1-6H,7H2,(H,18,19)
InChIKeyUPIFPCKUKQFNRH-UHFFFAOYSA-N
MW359.58 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 2522815) has the molecular formula C13H9BrClFN2O2 and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID2522815
Molecular FormulaC13H9BrClFN2O2
Molecular Weight359.58 g/mol
Exact Mass357.95
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cccnc1Cl
InChIInChI=1S/C13H9BrClFN2O2/c14-8-3-4-11(9(16)6-8)20-7-12(19)18-10-2-1-5-17-13(10)15/h1-6H,7H2,(H,18,19)
InChIKeyUPIFPCKUKQFNRH-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
N-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide (CID 2522815) is 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1cccnc1Cl.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is UPIFPCKUKQFNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O2/c14-8-3-4-11(9(16)6-8)20-7-12(19)18-10-2-1-5-17-13(10)15/h1-6H,7H2,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 359.58 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 2522815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).