2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide

C12H12BrN3O2 — CID 7638236

IUPAC2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3O2/c1-16-6-5-11(15-16)14-12(17)8-18-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyHJWIEHRKTRKPLA-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.20
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide

2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 7638236) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID7638236
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3O2/c1-16-6-5-11(15-16)14-12(17)8-18-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyHJWIEHRKTRKPLA-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 8810740
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691197
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 7638236) is 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)COc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is HJWIEHRKTRKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-16-6-5-11(15-16)14-12(17)8-18-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 7638236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).