N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

C20H17F2N3O — CID 46916310

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c21-14-9-10-19(16(22)11-14)25-18-8-4-7-17(15(18)12-23-25)24-20(26)13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2,(H,24,26)
InChIKeyMVRCSOVXGPLTGN-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (PubChem CID 46916310) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
PubChem CID46916310
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c21-14-9-10-19(16(22)11-14)25-18-8-4-7-17(15(18)12-23-25)24-20(26)13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2,(H,24,26)
InChIKeyMVRCSOVXGPLTGN-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (CID 46916310) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The InChIKey is MVRCSOVXGPLTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-14-9-10-19(16(22)11-14)25-18-8-4-7-17(15(18)12-23-25)24-20(26)13-5-2-1-3-6-13/h1-3,5-6,9-12,17H,4,7-8H2,(H,24,26).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide has a molecular weight of 353.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is sourced from PubChem (CID 46916310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).