N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide

C22H16F3N3O — CID 155537887

IUPACN-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1ncc2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc21
InChIInChI=1S/C22H16F3N3O/c1-28-20-12-15(8-9-17(20)13-26-28)14-4-3-7-19(11-14)27-21(29)16-5-2-6-18(10-16)22(23,24)25/h2-13H,1H3,(H,27,29)
InChIKeyKFDITUCGGUWSSH-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.51
Rot. Bonds3

About N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155537887) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155537887
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1ncc2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc21
InChIInChI=1S/C22H16F3N3O/c1-28-20-12-15(8-9-17(20)13-26-28)14-4-3-7-19(11-14)27-21(29)16-5-2-6-18(10-16)22(23,24)25/h2-13H,1H3,(H,27,29)
InChIKeyKFDITUCGGUWSSH-UHFFFAOYSA-N
XLogP5.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide 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

Niraparib
CID 24958200
Fluxapyroxad
CID 16095400
Apinaca
CID 57404063
5F-Cumyl-PINACA
CID 86274158
5-Fluoro-apinaca
CID 71711119
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
4-(4-(trifluoromethyl)phenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11373846
Epz005687
CID 60160561
N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
Fub-apinaca
CID 118796517
N-1-naphthalenyl-1-pentyl-1H-indazole-3-carboxamide
CID 119058030
Dihydropyridone indazole amide 10
CID 11189172

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 155537887) is N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is Cn1ncc2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc21.
What is the InChIKey of N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KFDITUCGGUWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-28-20-12-15(8-9-17(20)13-26-28)14-4-3-7-19(11-14)27-21(29)16-5-2-6-18(10-16)22(23,24)25/h2-13H,1H3,(H,27,29).
What are the key properties of N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.38 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylindazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155537887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).