2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H24ClN3O2 — CID 9355643

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H24ClN3O2/c1-10(2)14-8-16(11(3)7-15(14)19)24-9-17(23)20-18-12(4)21-22(6)13(18)5/h7-8,10H,9H2,1-6H3,(H,20,23)
InChIKeyLAGNFJDAXINZKR-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9355643) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9355643
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H24ClN3O2/c1-10(2)14-8-16(11(3)7-15(14)19)24-9-17(23)20-18-12(4)21-22(6)13(18)5/h7-8,10H,9H2,1-6H3,(H,20,23)
InChIKeyLAGNFJDAXINZKR-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715455
2-(2,3,4,5,6-pentachlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78811961
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
CID 7893813
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
2-[[2-(2-ethoxyphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8810901
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7701837

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9355643) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(Cl)c(C(C)C)cc1OCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LAGNFJDAXINZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-10(2)14-8-16(11(3)7-15(14)19)24-9-17(23)20-18-12(4)21-22(6)13(18)5/h7-8,10H,9H2,1-6H3,(H,20,23).
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 349.86 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9355643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).