N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

C14H16FN5O2 — CID 112521311

IUPACN-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C14H16FN5O2/c1-9(2)14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-4-3-5-10(11)15/h3-7,9H,8H2,1-2H3,(H,16,21)(H,17,22)
InChIKeySTINYGHGZPGNPM-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.65
Rot. Bonds5

About N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (PubChem CID 112521311) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
PubChem CID112521311
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C14H16FN5O2/c1-9(2)14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-4-3-5-10(11)15/h3-7,9H,8H2,1-2H3,(H,16,21)(H,17,22)
InChIKeySTINYGHGZPGNPM-UHFFFAOYSA-N
XLogP1.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (CID 112521311) is N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2F)nn1.
What is the InChIKey of N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The InChIKey is STINYGHGZPGNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-9(2)14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-4-3-5-10(11)15/h3-7,9H,8H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide has a molecular weight of 305.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112521311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).