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

C20H18F2N4O5 — CID 68701726

IUPACN-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1c(F)cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)cc1F
InChIInChI=1S/C20H18F2N4O5/c1-11(27)23-13-5-4-6-14(9-13)26-20(29)25(19(28)18(24-26)31-3)10-12-7-15(21)17(30-2)16(22)8-12/h4-9H,10H2,1-3H3,(H,23,27)
InChIKeyGSPWCNHONHWNOP-UHFFFAOYSA-N
MW432.38 g/mol
LogP1.70
Rot. Bonds6

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

N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 68701726) has the molecular formula C20H18F2N4O5 and a molecular weight of 432.38 g/mol. Its IUPAC name is N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID68701726
Molecular FormulaC20H18F2N4O5
Molecular Weight432.38 g/mol
Exact Mass432.12
IUPAC NameN-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1c(F)cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)cc1F
InChIInChI=1S/C20H18F2N4O5/c1-11(27)23-13-5-4-6-14(9-13)26-20(29)25(19(28)18(24-26)31-3)10-12-7-15(21)17(30-2)16(22)8-12/h4-9H,10H2,1-3H3,(H,23,27)
InChIKeyGSPWCNHONHWNOP-UHFFFAOYSA-N
XLogP1.70
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 68701726) is N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is COc1c(F)cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)cc1F.
What is the InChIKey of N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is GSPWCNHONHWNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O5/c1-11(27)23-13-5-4-6-14(9-13)26-20(29)25(19(28)18(24-26)31-3)10-12-7-15(21)17(30-2)16(22)8-12/h4-9H,10H2,1-3H3,(H,23,27).
What are the key properties of N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 432.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 68701726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).