N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide

C14H15FN4O2 — CID 97331218

IUPACN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1ccnn1
InChIInChI=1S/C14H15FN4O2/c1-10(17-14(21)9-19-7-6-16-18-19)8-13(20)11-2-4-12(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyZWZQLFYKESDAAY-JTQLQIEISA-N
MW290.30 g/mol
LogP1.19
Rot. Bonds6

About N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide

N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide (PubChem CID 97331218) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
PubChem CID97331218
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1ccnn1
InChIInChI=1S/C14H15FN4O2/c1-10(17-14(21)9-19-7-6-16-18-19)8-13(20)11-2-4-12(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyZWZQLFYKESDAAY-JTQLQIEISA-N
XLogP1.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
CID 124608281
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiadiazole-4-carboxamide
CID 75437795
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]-1-methylbenzotriazole-5-carboxamide
CID 75437762
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 97331216
1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374919

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide (CID 97331218) is N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide is C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1ccnn1.
What is the InChIKey of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is ZWZQLFYKESDAAY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-10(17-14(21)9-19-7-6-16-18-19)8-13(20)11-2-4-12(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,17,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide?
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 97331218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).