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

C15H17BrFN3O2 — CID 17481414

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3O2/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-6-5-11(17)7-12(13)16/h5-7,10H,1-4H3,(H,18,21)
InChIKeyATVZEJLUMUXSNH-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.34
Rot. Bonds4

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

2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 17481414) has the molecular formula C15H17BrFN3O2 and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID17481414
Molecular FormulaC15H17BrFN3O2
Molecular Weight370.22 g/mol
Exact Mass369.05
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3O2/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-6-5-11(17)7-12(13)16/h5-7,10H,1-4H3,(H,18,21)
InChIKeyATVZEJLUMUXSNH-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 17481414) is 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ATVZEJLUMUXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O2/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-6-5-11(17)7-12(13)16/h5-7,10H,1-4H3,(H,18,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 370.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17481414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).