N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide

C16H16F3N5O2 — CID 112520718

IUPACN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)11-6-1-2-7-12(11)20-14(25)9-24-8-13(22-23-24)21-15(26)10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,20,25)(H,21,26)
InChIKeyTZKNZVJAMCYCNG-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.67
Rot. Bonds5

About N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112520718) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112520718
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)11-6-1-2-7-12(11)20-14(25)9-24-8-13(22-23-24)21-15(26)10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,20,25)(H,21,26)
InChIKeyTZKNZVJAMCYCNG-UHFFFAOYSA-N
XLogP2.67
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112520718) is N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide is O=C(Cn1cc(NC(=O)C2CCC2)nn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is TZKNZVJAMCYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)11-6-1-2-7-12(11)20-14(25)9-24-8-13(22-23-24)21-15(26)10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,20,25)(H,21,26).
What are the key properties of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112520718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).