N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide

C11H9BrF3N3O — CID 90376416

IUPACN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1nn(C)c2c(Br)cccc12
InChIInChI=1S/C11H9BrF3N3O/c1-17(10(19)11(13,14)15)9-6-4-3-5-7(12)8(6)18(2)16-9/h3-5H,1-2H3
InChIKeyRKJWGGQRWSFXNQ-UHFFFAOYSA-N
MW336.11 g/mol
LogP2.86
Rot. Bonds1

About N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide

N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 90376416) has the molecular formula C11H9BrF3N3O and a molecular weight of 336.11 g/mol. Its IUPAC name is N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID90376416
Molecular FormulaC11H9BrF3N3O
Molecular Weight336.11 g/mol
Exact Mass334.99
IUPAC NameN-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1nn(C)c2c(Br)cccc12
InChIInChI=1S/C11H9BrF3N3O/c1-17(10(19)11(13,14)15)9-6-4-3-5-7(12)8(6)18(2)16-9/h3-5H,1-2H3
InChIKeyRKJWGGQRWSFXNQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-1-methyl-1H-indazol-3-amine
CID 83911247
7-[(3-Bromophenyl)methyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 16027189
Acetamide,n-acetyl-n-(1-acetyl-6-bromo-4-fluoro-1h-indazol-3-yl)-
CID 58504372
N-(7-bromo-1-methyl-1H-indazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
CID 90376103
7-bromo-N-(2,2-difluoroethyl)-1-methyl-1H-indazol-3-amine
CID 90376372
7-bromo-4-fluoro-1-methyl-1H-indazol-3-amine
CID 90376533
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
N-(6-bromo-1-methyl-4-nitroindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
CID 176254696
3-[(6-bromo-7-fluoro-1-methylindazol-3-yl)-formylamino]-N-methylpropanamide
CID 178164163

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide (CID 90376416) is N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1nn(C)c2c(Br)cccc12.
What is the InChIKey of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is RKJWGGQRWSFXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O/c1-17(10(19)11(13,14)15)9-6-4-3-5-7(12)8(6)18(2)16-9/h3-5H,1-2H3.
What are the key properties of N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(7-bromo-1-methylindazol-3-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 336.11 g/mol, XLogP of 2.86, 1 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)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 90376416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).