2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide

C18H15ClN4O3 — CID 21093784

IUPAC2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C18H15ClN4O3/c19-15-7-6-13(23-18(26)22-16(24)11-21-23)10-14(15)17(25)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,25)(H,22,24,26)
InChIKeyJYZZNJRSHOLLNY-UHFFFAOYSA-N
MW370.80 g/mol
LogP1.55
Rot. Bonds5

About 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide

2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide (PubChem CID 21093784) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide
PubChem CID21093784
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C18H15ClN4O3/c19-15-7-6-13(23-18(26)22-16(24)11-21-23)10-14(15)17(25)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,25)(H,22,24,26)
InChIKeyJYZZNJRSHOLLNY-UHFFFAOYSA-N
XLogP1.55
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide (CID 21093784) is 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is JYZZNJRSHOLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c19-15-7-6-13(23-18(26)22-16(24)11-21-23)10-14(15)17(25)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,25)(H,22,24,26).
What are the key properties of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide?
2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 370.80 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 21093784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).