N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide

C16H19FN4O2 — CID 90649651

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1ccc(F)c(O)c1
InChIInChI=1S/C16H19FN4O2/c17-13-7-6-11(8-14(13)22)16(23)18-9-15-20-19-10-21(15)12-4-2-1-3-5-12/h6-8,10,12,22H,1-5,9H2,(H,18,23)
InChIKeyNBASCJDFNZZUSZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.56
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide (PubChem CID 90649651) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide
PubChem CID90649651
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1ccc(F)c(O)c1
InChIInChI=1S/C16H19FN4O2/c17-13-7-6-11(8-14(13)22)16(23)18-9-15-20-19-10-21(15)12-4-2-1-3-5-12/h6-8,10,12,22H,1-5,9H2,(H,18,23)
InChIKeyNBASCJDFNZZUSZ-UHFFFAOYSA-N
XLogP2.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide (CID 90649651) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide is O=C(NCc1nncn1C1CCCCC1)c1ccc(F)c(O)c1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide?
The InChIKey is NBASCJDFNZZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-7-6-11(8-14(13)22)16(23)18-9-15-20-19-10-21(15)12-4-2-1-3-5-12/h6-8,10,12,22H,1-5,9H2,(H,18,23).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide has a molecular weight of 318.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-hydroxybenzamide is sourced from PubChem (CID 90649651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).