3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide

C21H20F3N3O2 — CID 171469115

IUPAC3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3ccc(F)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C21H20F3N3O2/c22-15-4-3-13-11-27(26-19(13)9-15)16-5-1-12(2-6-16)10-25-21(29)14-7-17(23)20(28)18(24)8-14/h3-4,7-9,11-12,16,28H,1-2,5-6,10H2,(H,25,29)
InChIKeyKLVAIUWXGSQQHH-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.32
Rot. Bonds4

About 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide

3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide (PubChem CID 171469115) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide
PubChem CID171469115
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3ccc(F)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C21H20F3N3O2/c22-15-4-3-13-11-27(26-19(13)9-15)16-5-1-12(2-6-16)10-25-21(29)14-7-17(23)20(28)18(24)8-14/h3-4,7-9,11-12,16,28H,1-2,5-6,10H2,(H,25,29)
InChIKeyKLVAIUWXGSQQHH-UHFFFAOYSA-N
XLogP4.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide?
The IUPAC name of 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide (CID 171469115) is 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide is O=C(NCC1CCC(n2cc3ccc(F)cc3n2)CC1)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide?
The InChIKey is KLVAIUWXGSQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-15-4-3-13-11-27(26-19(13)9-15)16-5-1-12(2-6-16)10-25-21(29)14-7-17(23)20(28)18(24)8-14/h3-4,7-9,11-12,16,28H,1-2,5-6,10H2,(H,25,29).
What are the key properties of 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide?
3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide has a molecular weight of 403.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(6-fluoroindazol-2-yl)cyclohexyl]methyl]-4-hydroxybenzamide is sourced from PubChem (CID 171469115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).