2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C14H16IN3O2 — CID 47097263

IUPAC2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(I)cc1
InChIInChI=1S/C14H16IN3O2/c1-10(2)18-13(7-8-16-18)17-14(19)9-20-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyAQLGZHQYQGKGCF-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 47097263) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID47097263
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(I)cc1
InChIInChI=1S/C14H16IN3O2/c1-10(2)18-13(7-8-16-18)17-14(19)9-20-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyAQLGZHQYQGKGCF-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 47097263) is 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is AQLGZHQYQGKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-10(2)18-13(7-8-16-18)17-14(19)9-20-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 385.21 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 47097263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).