2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide

C11H12FN3O — CID 176997329

IUPAC2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide
SMILESCc1cc(F)c2c(C)n(CC(N)=O)nc2c1
InChIInChI=1S/C11H12FN3O/c1-6-3-8(12)11-7(2)15(5-10(13)16)14-9(11)4-6/h3-4H,5H2,1-2H3,(H2,13,16)
InChIKeyXSPGBUSHOZORHR-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide

2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide (PubChem CID 176997329) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide
PubChem CID176997329
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide
SMILESCc1cc(F)c2c(C)n(CC(N)=O)nc2c1
InChIInChI=1S/C11H12FN3O/c1-6-3-8(12)11-7(2)15(5-10(13)16)14-9(11)4-6/h3-4H,5H2,1-2H3,(H2,13,16)
InChIKeyXSPGBUSHOZORHR-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dimethylindazol-2-yl)acetamide
CID 176997387
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 79015779
1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223
2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 143582191
3-tert-butyl-4-fluoro-1,6-dimethylindazole
CID 167564544
2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
3-amino-3-(3-fluoro-5-methylphenyl)propanamide
CID 55255925
2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
CID 162099179
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide (CID 176997329) is 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide is Cc1cc(F)c2c(C)n(CC(N)=O)nc2c1.
What is the InChIKey of 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide?
The InChIKey is XSPGBUSHOZORHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-8(12)11-7(2)15(5-10(13)16)14-9(11)4-6/h3-4H,5H2,1-2H3,(H2,13,16).
What are the key properties of 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide?
2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide has a molecular weight of 221.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide is sourced from PubChem (CID 176997329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).