1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide

C17H15F3N4O2 — CID 41369673

IUPAC1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3OCC(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N4O2/c1-2-24-14-8-7-11(9-13(14)22-23-24)16(25)21-12-5-3-4-6-15(12)26-10-17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25)
InChIKeyHFMXKWAOLCGVEH-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.64
Rot. Bonds5

About 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide (PubChem CID 41369673) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
PubChem CID41369673
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3OCC(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N4O2/c1-2-24-14-8-7-11(9-13(14)22-23-24)16(25)21-12-5-3-4-6-15(12)26-10-17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25)
InChIKeyHFMXKWAOLCGVEH-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide (CID 41369673) is 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3OCC(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide?
The InChIKey is HFMXKWAOLCGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-2-24-14-8-7-11(9-13(14)22-23-24)16(25)21-12-5-3-4-6-15(12)26-10-17(18,19)20/h3-9H,2,10H2,1H3,(H,21,25).
What are the key properties of 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 41369673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).