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

C20H15FN4O — CID 71602820

IUPAC3-[5-(2-fluoroanilino)indazol-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1
InChIInChI=1S/C20H15FN4O/c21-17-6-1-2-7-18(17)24-15-8-9-19-14(10-15)12-23-25(19)16-5-3-4-13(11-16)20(22)26/h1-12,24H,(H2,22,26)
InChIKeyLUZNKSCCMSULRH-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.01
Rot. Bonds4

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

3-[5-(2-fluoroanilino)indazol-1-yl]benzamide (PubChem CID 71602820) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide.

Molecular Properties

Compound Name3-[5-(2-fluoroanilino)indazol-1-yl]benzamide
PubChem CID71602820
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name3-[5-(2-fluoroanilino)indazol-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1
InChIInChI=1S/C20H15FN4O/c21-17-6-1-2-7-18(17)24-15-8-9-19-14(10-15)12-23-25(19)16-5-3-4-13(11-16)20(22)26/h1-12,24H,(H2,22,26)
InChIKeyLUZNKSCCMSULRH-UHFFFAOYSA-N
XLogP4.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-fluoroanilino)indazol-1-yl]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]benzamide?
The IUPAC name of 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide (CID 71602820) is 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide.
What is the SMILES notation for 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide?
The canonical SMILES for 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide is NC(=O)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1.
What is the InChIKey of 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide?
The InChIKey is LUZNKSCCMSULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-17-6-1-2-7-18(17)24-15-8-9-19-14(10-15)12-23-25(19)16-5-3-4-13(11-16)20(22)26/h1-12,24H,(H2,22,26).
What are the key properties of 3-[5-(2-fluoroanilino)indazol-1-yl]benzamide?
3-[5-(2-fluoroanilino)indazol-1-yl]benzamide has a molecular weight of 346.37 g/mol, XLogP of 4.01, 4 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]benzamide is sourced from PubChem (CID 71602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).