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

C20H16Cl2N4O5 — CID 22339599

IUPACN-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
SMILESO=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30)
InChIKeyJELUGDNGORLMQT-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.01
Rot. Bonds5

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

N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide (PubChem CID 22339599) has the molecular formula C20H16Cl2N4O5 and a molecular weight of 463.28 g/mol. Its IUPAC name is N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
PubChem CID22339599
Molecular FormulaC20H16Cl2N4O5
Molecular Weight463.28 g/mol
Exact Mass462.05
IUPAC NameN-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide
SMILESO=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O
InChIInChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30)
InChIKeyJELUGDNGORLMQT-UHFFFAOYSA-N
XLogP3.01
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The IUPAC name of N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide (CID 22339599) is N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide.
What is the SMILES notation for N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The canonical SMILES for N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide is O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O.
What is the InChIKey of N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
The InChIKey is JELUGDNGORLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30).
What are the key properties of N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide?
N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide has a molecular weight of 463.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzamide is sourced from PubChem (CID 22339599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).