2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H17BrClN3O2 — CID 7715455

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H17BrClN3O2/c1-8-5-11(16)6-12(17)15(8)22-7-13(21)18-14-9(2)19-20(4)10(14)3/h5-6H,7H2,1-4H3,(H,18,21)
InChIKeyWLSKFRCHEFNMIB-UHFFFAOYSA-N
MW386.68 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 7715455) has the molecular formula C15H17BrClN3O2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID7715455
Molecular FormulaC15H17BrClN3O2
Molecular Weight386.68 g/mol
Exact Mass385.02
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H17BrClN3O2/c1-8-5-11(16)6-12(17)15(8)22-7-13(21)18-14-9(2)19-20(4)10(14)3/h5-6H,7H2,1-4H3,(H,18,21)
InChIKeyWLSKFRCHEFNMIB-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4,5,6-pentachlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78811961
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9355643
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 25333210
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9152455
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 7715455) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WLSKFRCHEFNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O2/c1-8-5-11(16)6-12(17)15(8)22-7-13(21)18-14-9(2)19-20(4)10(14)3/h5-6H,7H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 386.68 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 7715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).