2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide

C12H11BrFN3O2 — CID 43074241

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H11BrFN3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVWYKZBZXDMLJKP-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 43074241) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID43074241
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H11BrFN3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVWYKZBZXDMLJKP-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)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

4-(4-{[(2-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507064
2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155523507
2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354025
N-(1-methylpyrazol-4-yl)-4-phenoxy-butanamide
CID 145420094
4-(4-{[(4-fluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1505472
4-(4-{[(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507061
2-(4-bromo-2-fluorophenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 43429322
2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 47026923
2-(2-fluorophenoxy)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)acetamide
CID 71810096
N-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-4-amine
CID 75450237
2-(2-fluorophenoxy)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 76149516
2-(4-bromophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 4089265

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide (CID 43074241) is 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)COc2ccc(Br)cc2F)cn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is VWYKZBZXDMLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 328.14 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43074241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).