N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide

C12H9BrF5N3O — CID 90376103

IUPACN-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
SMILESCn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C12H9BrF5N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3
InChIKeyRGMALOXDXBKKCY-UHFFFAOYSA-N
MW386.12 g/mol
LogP3.50
Rot. Bonds3

About N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide

N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide (PubChem CID 90376103) has the molecular formula C12H9BrF5N3O and a molecular weight of 386.12 g/mol. Its IUPAC name is N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
PubChem CID90376103
Molecular FormulaC12H9BrF5N3O
Molecular Weight386.12 g/mol
Exact Mass384.98
IUPAC NameN-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
SMILESCn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(Br)c21
InChIInChI=1S/C12H9BrF5N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3
InChIKeyRGMALOXDXBKKCY-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-Bromo-2-fluorophenyl)methyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 16027187
7-[(3-Bromophenyl)methyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 16027189
7-bromo-N-(2,2-difluoroethyl)-1-methyl-1H-indazol-3-amine
CID 90376372
N-(7-bromo-1-methyl-1H-indazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
CID 90376416
N-(7-bromo-1-methyl-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
CID 90376641
N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide
CID 144694101
11-Bromo-5-(2,2-difluoroethyl)-7,7-difluoro-2-methyl-2,3,5-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
CID 160395912
1-(5-Bromo-4-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 176221317
3-[(6-bromo-7-fluoro-1-methylindazol-3-yl)-formylamino]-N-methylpropanamide
CID 178164163
1-(6-Fluoro-1-methylindazol-3-yl)pyridin-2-one
CID 178621839
3-[(6-bromo-7-fluoro-1-methylindazol-3-yl)-methylamino]-N-formylpropanamide
CID 166168308
1-(7-bromo-5-fluoro-1-methyl-1H-indazol-3-yl)-1,3-diazinane-2,4-dione
CID 177791974

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide (CID 90376103) is N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide is Cn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(Br)c21.
What is the InChIKey of N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide?
The InChIKey is RGMALOXDXBKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF5N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3.
What are the key properties of N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide?
N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide has a molecular weight of 386.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1-methylindazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90376103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).