3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide

C14H14F3N5O2 — CID 36580103

IUPAC3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H14F3N5O2/c1-7-3-8(2)5-9(4-7)11(24)18-6-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-5H,6H2,1-2H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyBQNNCGRNIWGDID-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.81
Rot. Bonds4

About 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide (PubChem CID 36580103) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
PubChem CID36580103
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H14F3N5O2/c1-7-3-8(2)5-9(4-7)11(24)18-6-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-5H,6H2,1-2H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyBQNNCGRNIWGDID-UHFFFAOYSA-N
XLogP1.81
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide with MolForge

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Related Compounds

2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 43061330
4-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
CID 120558788
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]octanamide
CID 78805803
2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 134023104
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
4-amino-3-methoxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
CID 120586571
3,4-dimethoxy-5-prop-2-enyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36580401
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide (CID 36580103) is 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The InChIKey is BQNNCGRNIWGDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-7-3-8(2)5-9(4-7)11(24)18-6-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-5H,6H2,1-2H3,(H,18,24)(H2,19,20,21,22,23).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide has a molecular weight of 341.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 36580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).