N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C11H11FN4O2 — CID 115774438

IUPACN-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)Nc2cccc(F)c2)c1=O
InChIInChI=1S/C11H11FN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyZYVMATKOPCBUSY-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.36
Rot. Bonds3

About N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 115774438) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID115774438
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)Nc2cccc(F)c2)c1=O
InChIInChI=1S/C11H11FN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyZYVMATKOPCBUSY-UHFFFAOYSA-N
XLogP0.36
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 47256348
N-(3-fluorophenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020040
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-[2-[2-(3-fluoroanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]benzamide
CID 50812935
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
dimethyl 1-[2-(3-fluoroanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 4208435
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 115774438) is N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)Nc2cccc(F)c2)c1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZYVMATKOPCBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,14,17).
What are the key properties of N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 250.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115774438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).