2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C18H18BrN3O2 — CID 39903703

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H18BrN3O2/c1-12(2)22-16(9-10-20-22)21-17(23)11-24-15-8-7-13-5-3-4-6-14(13)18(15)19/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySEKXHJSDABCWNL-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.40
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 39903703) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID39903703
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H18BrN3O2/c1-12(2)22-16(9-10-20-22)21-17(23)11-24-15-8-7-13-5-3-4-6-14(13)18(15)19/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySEKXHJSDABCWNL-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 39903703) is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is SEKXHJSDABCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-12(2)22-16(9-10-20-22)21-17(23)11-24-15-8-7-13-5-3-4-6-14(13)18(15)19/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 388.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 39903703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).