2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide

C15H17BrClN3O2 — CID 2971113

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)COc2ccc(Br)cc2Cl)cnn1C
InChIInChI=1S/C15H17BrClN3O2/c1-9(12-7-18-20(3)10(12)2)19-15(21)8-22-14-5-4-11(16)6-13(14)17/h4-7,9H,8H2,1-3H3,(H,19,21)
InChIKeyFUDXFDXBOZAOMM-UHFFFAOYSA-N
MW386.68 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 2971113) has the molecular formula C15H17BrClN3O2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID2971113
Molecular FormulaC15H17BrClN3O2
Molecular Weight386.68 g/mol
Exact Mass385.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)COc2ccc(Br)cc2Cl)cnn1C
InChIInChI=1S/C15H17BrClN3O2/c1-9(12-7-18-20(3)10(12)2)19-15(21)8-22-14-5-4-11(16)6-13(14)17/h4-7,9H,8H2,1-3H3,(H,19,21)
InChIKeyFUDXFDXBOZAOMM-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725921
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 81064088
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide (CID 2971113) is 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is Cc1c(C(C)NC(=O)COc2ccc(Br)cc2Cl)cnn1C.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is FUDXFDXBOZAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O2/c1-9(12-7-18-20(3)10(12)2)19-15(21)8-22-14-5-4-11(16)6-13(14)17/h4-7,9H,8H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 386.68 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 2971113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).