N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

C18H14F2N4O3 — CID 51345657

IUPACN-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2)cc1
InChIInChI=1S/C18H14F2N4O3/c1-27-13-5-2-11(3-6-13)16-9-21-24(18(26)23-16)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-9H,10H2,1H3,(H,22,25)
InChIKeyKBTWUHDRELQOJP-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.23
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (PubChem CID 51345657) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
PubChem CID51345657
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC NameN-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2)cc1
InChIInChI=1S/C18H14F2N4O3/c1-27-13-5-2-11(3-6-13)16-9-21-24(18(26)23-16)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-9H,10H2,1H3,(H,22,25)
InChIKeyKBTWUHDRELQOJP-UHFFFAOYSA-N
XLogP2.23
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51345679
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
N-(4-chloro-2-fluorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363577
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
5-(4-methoxyphenyl)-2-phenacyl-1,2,4-triazin-3-one
CID 23166249
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (CID 51345657) is N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is COc1ccc(-c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)n2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The InChIKey is KBTWUHDRELQOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-27-13-5-2-11(3-6-13)16-9-21-24(18(26)23-16)10-17(25)22-15-7-4-12(19)8-14(15)20/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide has a molecular weight of 372.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is sourced from PubChem (CID 51345657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).