5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide

C24H18Cl2N4O5 — CID 22339634

IUPAC5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C24H18Cl2N4O5/c25-18-10-15(30-24(34)29-21(32)13-28-30)11-19(26)22(18)35-16-6-7-20(31)17(12-16)23(33)27-9-8-14-4-2-1-3-5-14/h1-7,10-13,31H,8-9H2,(H,27,33)(H,29,32,34)
InChIKeyHYUVUDLOBJQMNE-UHFFFAOYSA-N
MW513.34 g/mol
LogP3.70
Rot. Bonds7

About 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide

5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide (PubChem CID 22339634) has the molecular formula C24H18Cl2N4O5 and a molecular weight of 513.34 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide
PubChem CID22339634
Molecular FormulaC24H18Cl2N4O5
Molecular Weight513.34 g/mol
Exact Mass512.07
IUPAC Name5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C24H18Cl2N4O5/c25-18-10-15(30-24(34)29-21(32)13-28-30)11-19(26)22(18)35-16-6-7-20(31)17(12-16)23(33)27-9-8-14-4-2-1-3-5-14/h1-7,10-13,31H,8-9H2,(H,27,33)(H,29,32,34)
InChIKeyHYUVUDLOBJQMNE-UHFFFAOYSA-N
XLogP3.70
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.34
LogP ≤ 53.70
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-(hydroxymethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 91039278
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-N-[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-2-hydroxybenzamide
CID 10392244
2-[3,5-dichloro-4-[4-hydroxy-3-(8-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]phenyl]-1,2,4-triazine-3,5-dione
CID 22339402
2-[3,5-dichloro-4-[3-(2,2-dimethylmorpholine-4-carbonyl)-4-hydroxyphenoxy]phenyl]-1,2,4-triazine-3,5-dione
CID 22339594
2-[3,5-dichloro-4-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-hydroxyphenoxy]phenyl]-1,2,4-triazine-3,5-dione
CID 22339746
2-[3,5-dichloro-4-(3-hexylsulfonyl-4-hydroxyphenoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 22339391
2-[3,5-dichloro-4-[4-hydroxy-3-(3-phenylpiperidin-1-yl)sulfonylphenoxy]phenyl]-1,2,4-triazine-3,5-dione
CID 22339394
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 22339422
N-cyclohexyl-3-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-4-hydroxybenzamide
CID 10117304
2-[4-(3-amino-4-methoxyphenoxy)-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 22339553
5-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-6-methylphenoxy]-2-hydroxy-N-(1-methylbenzimidazol-2-yl)benzenesulfonamide
CID 22339718

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide (CID 22339634) is 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O.
What is the InChIKey of 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide?
The InChIKey is HYUVUDLOBJQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O5/c25-18-10-15(30-24(34)29-21(32)13-28-30)11-19(26)22(18)35-16-6-7-20(31)17(12-16)23(33)27-9-8-14-4-2-1-3-5-14/h1-7,10-13,31H,8-9H2,(H,27,33)(H,29,32,34).
What are the key properties of 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide?
5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide has a molecular weight of 513.34 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 22339634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).