N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide

C16H20ClN3O2 — CID 78778333

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCC(C)n1nccc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H20ClN3O2/c1-4-12(3)20-15(7-8-18-20)19-16(21)10-22-14-6-5-13(17)9-11(14)2/h5-9,12H,4,10H2,1-3H3,(H,19,21)
InChIKeyMCOZBVUBIOYNHB-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.83
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 78778333) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID78778333
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCC(C)n1nccc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H20ClN3O2/c1-4-12(3)20-15(7-8-18-20)19-16(21)10-22-14-6-5-13(17)9-11(14)2/h5-9,12H,4,10H2,1-3H3,(H,19,21)
InChIKeyMCOZBVUBIOYNHB-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 78778333) is N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is CCC(C)n1nccc1NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is MCOZBVUBIOYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-12(3)20-15(7-8-18-20)19-16(21)10-22-14-6-5-13(17)9-11(14)2/h5-9,12H,4,10H2,1-3H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 321.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 78778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).