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

C22H20Cl2N4O5 — CID 10117304

IUPACN-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(O)c(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)c1
InChIInChI=1S/C22H20Cl2N4O5/c23-15-9-14(28-22(32)27-19(30)11-25-28)10-16(24)20(15)33-18-8-12(6-7-17(18)29)21(31)26-13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,26,31)(H,27,30,32)
InChIKeyOANBKIAISJKTTG-UHFFFAOYSA-N
MW491.33 g/mol
LogP3.79
Rot. Bonds5

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

N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide (PubChem CID 10117304) has the molecular formula C22H20Cl2N4O5 and a molecular weight of 491.33 g/mol. Its IUPAC name is N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide
PubChem CID10117304
Molecular FormulaC22H20Cl2N4O5
Molecular Weight491.33 g/mol
Exact Mass490.08
IUPAC NameN-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(O)c(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)c1
InChIInChI=1S/C22H20Cl2N4O5/c23-15-9-14(28-22(32)27-19(30)11-25-28)10-16(24)20(15)33-18-8-12(6-7-17(18)29)21(31)26-13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,26,31)(H,27,30,32)
InChIKeyOANBKIAISJKTTG-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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Related Compounds

5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 23519804
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide
CID 22339634
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
2-[3,5-dichloro-4-[(5-cyclopropyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 175042167
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
2-[4-(3-amino-4-methoxyphenoxy)-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 22339553
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 22339685
2-[3,5-dichloro-4-(3-hexylsulfonyl-4-hydroxyphenoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 22339391
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide?
The IUPAC name of N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide (CID 10117304) is N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide.
What is the SMILES notation for N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide?
The canonical SMILES for N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide is O=C(NC1CCCCC1)c1ccc(O)c(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)c1.
What is the InChIKey of N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide?
The InChIKey is OANBKIAISJKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O5/c23-15-9-14(28-22(32)27-19(30)11-25-28)10-16(24)20(15)33-18-8-12(6-7-17(18)29)21(31)26-13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,26,31)(H,27,30,32).
What are the key properties of N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide?
N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-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-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide is sourced from PubChem (CID 10117304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).