2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide

C17H19BrN4O3 — CID 155523507

IUPAC2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN4O3/c1-12(2)22(10-16(23)21-14-7-8-19-20-9-14)17(24)11-25-15-5-3-13(18)4-6-15/h3-9,12H,10-11H2,1-2H3,(H,19,21,23)
InChIKeyUBUSWWSEFZQZDM-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.49
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide

2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (PubChem CID 155523507) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
PubChem CID155523507
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN4O3/c1-12(2)22(10-16(23)21-14-7-8-19-20-9-14)17(24)11-25-15-5-3-13(18)4-6-15/h3-9,12H,10-11H2,1-2H3,(H,19,21,23)
InChIKeyUBUSWWSEFZQZDM-UHFFFAOYSA-N
XLogP2.49
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155517652
2-[[2-(4-ethylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155522148
2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155527377
2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155534328
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
CID 155535051
2-[[2-(4-ethoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155542487
2-[[2-(4-pentylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155543581
2-[[2-[4-(2-methylpropyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155564187
2-[[2-(4-butylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155566562
2-(4-bromo-2-fluorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 43074241
2-(4-bromophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 47026923
2-(4-bromophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 4089265

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (CID 155523507) is 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is CC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The InChIKey is UBUSWWSEFZQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c1-12(2)22(10-16(23)21-14-7-8-19-20-9-14)17(24)11-25-15-5-3-13(18)4-6-15/h3-9,12H,10-11H2,1-2H3,(H,19,21,23).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide has a molecular weight of 407.27 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 155523507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).