3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide

C21H21F2N3O2 — CID 171469344

IUPAC3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccccc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C21H21F2N3O2/c22-17-9-15(10-18(23)20(17)27)21(28)24-11-13-5-7-16(8-6-13)26-12-14-3-1-2-4-19(14)25-26/h1-4,9-10,12-13,16,27H,5-8,11H2,(H,24,28)
InChIKeyQALINUIARLVRJJ-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.18
Rot. Bonds4

About 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide

3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide (PubChem CID 171469344) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide
PubChem CID171469344
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccccc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C21H21F2N3O2/c22-17-9-15(10-18(23)20(17)27)21(28)24-11-13-5-7-16(8-6-13)26-12-14-3-1-2-4-19(14)25-26/h1-4,9-10,12-13,16,27H,5-8,11H2,(H,24,28)
InChIKeyQALINUIARLVRJJ-UHFFFAOYSA-N
XLogP4.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]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-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide (CID 171469344) is 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide is O=C(NCC1CCC(n2cc3ccccc3n2)CC1)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide?
The InChIKey is QALINUIARLVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-17-9-15(10-18(23)20(17)27)21(28)24-11-13-5-7-16(8-6-13)26-12-14-3-1-2-4-19(14)25-26/h1-4,9-10,12-13,16,27H,5-8,11H2,(H,24,28).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[(4-indazol-2-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 171469344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).