N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide

C21H20ClF2N3O2 — CID 171469218

IUPACN-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3cc(Cl)ccc3n2)CC1)c1cc(F)c(O)cc1F
InChIInChI=1S/C21H20ClF2N3O2/c22-14-3-6-19-13(7-14)11-27(26-19)15-4-1-12(2-5-15)10-25-21(29)16-8-18(24)20(28)9-17(16)23/h3,6-9,11-12,15,28H,1-2,4-5,10H2,(H,25,29)
InChIKeyZJSGFAKPLMPUNQ-UHFFFAOYSA-N
MW419.86 g/mol
LogP4.83
Rot. Bonds4

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

N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide (PubChem CID 171469218) has the molecular formula C21H20ClF2N3O2 and a molecular weight of 419.86 g/mol. Its IUPAC name is N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide
PubChem CID171469218
Molecular FormulaC21H20ClF2N3O2
Molecular Weight419.86 g/mol
Exact Mass419.12
IUPAC NameN-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3cc(Cl)ccc3n2)CC1)c1cc(F)c(O)cc1F
InChIInChI=1S/C21H20ClF2N3O2/c22-14-3-6-19-13(7-14)11-27(26-19)15-4-1-12(2-5-15)10-25-21(29)16-8-18(24)20(28)9-17(16)23/h3,6-9,11-12,15,28H,1-2,4-5,10H2,(H,25,29)
InChIKeyZJSGFAKPLMPUNQ-UHFFFAOYSA-N
XLogP4.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide with MolForge

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Related Compounds

1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide
CID 137230917
(3,5-Dichloro-4-hydroxyphenyl)-indazol-1-ylmethanone
CID 166063504
US20240150334, Example 43
CID 171469092
US20240150334, Example 56
CID 171469118
US20240150334, Example 36
CID 171469287
Hsd17B13-IN-103
CID 171469320
US20240150334, Example 48
CID 171469374
US20240150334, Example 49
CID 171503794
N-(1-benzoylindazol-4-yl)-5-chloro-2-hydroxybenzamide
CID 162677061
3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)-N-methylbenzamide
CID 163234366
US20240150334, Example 10
CID 171469076
US20240150334, Example 63
CID 171469079

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide (CID 171469218) is N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide is O=C(NCC1CCC(n2cc3cc(Cl)ccc3n2)CC1)c1cc(F)c(O)cc1F.
What is the InChIKey of N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide?
The InChIKey is ZJSGFAKPLMPUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O2/c22-14-3-6-19-13(7-14)11-27(26-19)15-4-1-12(2-5-15)10-25-21(29)16-8-18(24)20(28)9-17(16)23/h3,6-9,11-12,15,28H,1-2,4-5,10H2,(H,25,29).
What are the key properties of N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide?
N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide has a molecular weight of 419.86 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloroindazol-2-yl)cyclohexyl]methyl]-2,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 171469218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).