N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C19H16F2N4O4 — CID 25106127

IUPACN-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C19H16F2N4O4/c1-11(26)22-13-4-3-5-14(9-13)25-19(28)24(18(27)17(23-25)29-2)10-12-6-7-15(20)16(21)8-12/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyGOJBWURPPZVYKZ-UHFFFAOYSA-N
MW402.36 g/mol
LogP1.69
Rot. Bonds5

About N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25106127) has the molecular formula C19H16F2N4O4 and a molecular weight of 402.36 g/mol. Its IUPAC name is N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25106127
Molecular FormulaC19H16F2N4O4
Molecular Weight402.36 g/mol
Exact Mass402.11
IUPAC NameN-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C19H16F2N4O4/c1-11(26)22-13-4-3-5-14(9-13)25-19(28)24(18(27)17(23-25)29-2)10-12-6-7-15(20)16(21)8-12/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyGOJBWURPPZVYKZ-UHFFFAOYSA-N
XLogP1.69
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25106127) is N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is COc1nn(-c2cccc(NC(C)=O)c2)c(=O)n(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is GOJBWURPPZVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O4/c1-11(26)22-13-4-3-5-14(9-13)25-19(28)24(18(27)17(23-25)29-2)10-12-6-7-15(20)16(21)8-12/h3-9H,10H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 402.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).