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

C14H14F3N5O3 — CID 43061330

IUPAC2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3/c1-2-25-9-6-4-3-5-8(9)11(24)18-7-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyJKKQJPFGTDHSQL-UHFFFAOYSA-N
MW357.29 g/mol
LogP1.59
Rot. Bonds6

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

2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide (PubChem CID 43061330) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
PubChem CID43061330
Molecular FormulaC14H14F3N5O3
Molecular Weight357.29 g/mol
Exact Mass357.10
IUPAC Name2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3/c1-2-25-9-6-4-3-5-8(9)11(24)18-7-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyJKKQJPFGTDHSQL-UHFFFAOYSA-N
XLogP1.59
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 36580103
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 9495521
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
2-ethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]benzamide
CID 46424285
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide (CID 43061330) is 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
The InChIKey is JKKQJPFGTDHSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-2-25-9-6-4-3-5-8(9)11(24)18-7-10(23)19-13-20-12(21-22-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,24)(H2,19,20,21,22,23).
What are the key properties of 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide has a molecular weight of 357.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 43061330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).