2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C14H15BrClN3O2 — CID 115593026

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)COc2ccc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C14H15BrClN3O2/c1-8(2)11-6-13(19-18-11)17-14(20)7-21-12-4-3-9(15)5-10(12)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeySVGUBXDWQQNRJR-UHFFFAOYSA-N
MW372.65 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593026) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115593026
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)COc2ccc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C14H15BrClN3O2/c1-8(2)11-6-13(19-18-11)17-14(20)7-21-12-4-3-9(15)5-10(12)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeySVGUBXDWQQNRJR-UHFFFAOYSA-N
XLogP3.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725921
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610368
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 17173876

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115593026) is 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)COc2ccc(Br)cc2Cl)n[nH]1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SVGUBXDWQQNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c1-8(2)11-6-13(19-18-11)17-14(20)7-21-12-4-3-9(15)5-10(12)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 372.65 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).