2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide

C13H14BrN3O2 — CID 100829453

IUPAC2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O2/c1-3-6-15-12(18)8-19-13-10-7-9(14)4-5-11(10)17(2)16-13/h3-5,7H,1,6,8H2,2H3,(H,15,18)
InChIKeyUPFYLBFITRIYGN-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.02
Rot. Bonds5

About 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide

2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide (PubChem CID 100829453) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide
PubChem CID100829453
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O2/c1-3-6-15-12(18)8-19-13-10-7-9(14)4-5-11(10)17(2)16-13/h3-5,7H,1,6,8H2,2H3,(H,15,18)
InChIKeyUPFYLBFITRIYGN-UHFFFAOYSA-N
XLogP2.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-1-methylindazol-3-yl)oxy-N-butylacetamide
CID 100816479
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63058368
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100816507
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
CID 61390786
2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide
CID 3831398
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide (CID 100829453) is 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide is C=CCNC(=O)COc1nn(C)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide?
The InChIKey is UPFYLBFITRIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-6-15-12(18)8-19-13-10-7-9(14)4-5-11(10)17(2)16-13/h3-5,7H,1,6,8H2,2H3,(H,15,18).
What are the key properties of 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide?
2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide has a molecular weight of 324.18 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide is sourced from PubChem (CID 100829453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).