2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

C14H16BrN3O2 — CID 47026923

IUPAC2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2/c1-11(9-18-8-2-7-16-18)17-14(19)10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyVWHPZIAUESHGCF-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (PubChem CID 47026923) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
PubChem CID47026923
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2/c1-11(9-18-8-2-7-16-18)17-14(19)10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyVWHPZIAUESHGCF-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4089265
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (CID 47026923) is 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is CC(Cn1cccn1)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The InChIKey is VWHPZIAUESHGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-11(9-18-8-2-7-16-18)17-14(19)10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 47026923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).