2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H15BrFN3O2 — CID 9354045

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H15BrFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-12-5-4-10(15)6-11(12)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyZPHCBYVULZSDGN-UHFFFAOYSA-N
MW356.20 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9354045) has the molecular formula C14H15BrFN3O2 and a molecular weight of 356.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9354045
Molecular FormulaC14H15BrFN3O2
Molecular Weight356.20 g/mol
Exact Mass355.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H15BrFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-12-5-4-10(15)6-11(12)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyZPHCBYVULZSDGN-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9354045) is 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZPHCBYVULZSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-12-5-4-10(15)6-11(12)16/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 356.20 g/mol, XLogP of 2.96, 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-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9354045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).