3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide

C27H21FN4O — CID 71602772

IUPAC3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)c1
InChIInChI=1S/C27H21FN4O/c1-18-6-4-8-21(14-18)31-27(33)19-7-5-9-23(16-19)32-26-13-12-22(15-20(26)17-29-32)30-25-11-3-2-10-24(25)28/h2-17,30H,1H3,(H,31,33)
InChIKeyYAJKXICRGUNBDU-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.47
Rot. Bonds5

About 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide

3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide (PubChem CID 71602772) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide
PubChem CID71602772
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC Name3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)c1
InChIInChI=1S/C27H21FN4O/c1-18-6-4-8-21(14-18)31-27(33)19-7-5-9-23(16-19)32-26-13-12-22(15-20(26)17-29-32)30-25-11-3-2-10-24(25)28/h2-17,30H,1H3,(H,31,33)
InChIKeyYAJKXICRGUNBDU-UHFFFAOYSA-N
XLogP6.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)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 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide (CID 71602772) is 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)c1.
What is the InChIKey of 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is YAJKXICRGUNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O/c1-18-6-4-8-21(14-18)31-27(33)19-7-5-9-23(16-19)32-26-13-12-22(15-20(26)17-29-32)30-25-11-3-2-10-24(25)28/h2-17,30H,1H3,(H,31,33).
What are the key properties of 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide?
3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 436.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 71602772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).