N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide

C19H17FN4O4 — CID 25106210

IUPACN-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide
SMILESCOc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H17FN4O4/c1-12(25)21-16-10-14(8-9-15(16)20)24-19(27)23(18(26)17(22-24)28-2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyGCVQMQAZQWOCBN-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.55
Rot. Bonds5

About N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide

N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide (PubChem CID 25106210) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide
PubChem CID25106210
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC NameN-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide
SMILESCOc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H17FN4O4/c1-12(25)21-16-10-14(8-9-15(16)20)24-19(27)23(18(26)17(22-24)28-2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyGCVQMQAZQWOCBN-UHFFFAOYSA-N
XLogP1.55
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide (CID 25106210) is N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide is COc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide?
The InChIKey is GCVQMQAZQWOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-12(25)21-16-10-14(8-9-15(16)20)24-19(27)23(18(26)17(22-24)28-2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,21,25).
What are the key properties of N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide?
N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide has a molecular weight of 384.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzyl-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 25106210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).