N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide

C22H20Cl2N4O5 — CID 10390904

IUPACN-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)
InChIKeyZTEALGGSHRFOOF-UHFFFAOYSA-N
MW491.33 g/mol
LogP3.79
Rot. Bonds5

About N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide

N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide (PubChem CID 10390904) has the molecular formula C22H20Cl2N4O5 and a molecular weight of 491.33 g/mol. Its IUPAC name is N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
PubChem CID10390904
Molecular FormulaC22H20Cl2N4O5
Molecular Weight491.33 g/mol
Exact Mass490.08
IUPAC NameN-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)
InChIKeyZTEALGGSHRFOOF-UHFFFAOYSA-N
XLogP3.79
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The IUPAC name of N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide (CID 10390904) is N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide.
What is the SMILES notation for N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The canonical SMILES for N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide is O=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O.
What is the InChIKey of N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The InChIKey is ZTEALGGSHRFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32).
What are the key properties of N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide has a molecular weight of 491.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide is sourced from PubChem (CID 10390904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).