N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide

C23H18F3N3O — CID 53164160

IUPACN-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)19-12-6-4-10-17(19)22(30)27-14-20-18-11-5-7-13-21(18)29(28-20)15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,27,30)
InChIKeyBPHGRLSTMRXQKJ-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.03
Rot. Bonds5

About N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 53164160) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID53164160
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC NameN-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)19-12-6-4-10-17(19)22(30)27-14-20-18-11-5-7-13-21(18)29(28-20)15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,27,30)
InChIKeyBPHGRLSTMRXQKJ-UHFFFAOYSA-N
XLogP5.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylindazol-3-yl)methyl]-2-(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

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (CID 53164160) is N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BPHGRLSTMRXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)19-12-6-4-10-17(19)22(30)27-14-20-18-11-5-7-13-21(18)29(28-20)15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,27,30).
What are the key properties of N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 409.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 53164160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).