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

C16H13F3N4O2 — CID 27298510

IUPAC1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C16H13F3N4O2/c1-2-23-13-8-7-10(9-12(13)21-22-23)15(24)20-11-5-3-4-6-14(11)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,24)
InChIKeyWFOHPJWZDDTMRU-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.60
Rot. Bonds4

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

1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide (PubChem CID 27298510) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
PubChem CID27298510
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C16H13F3N4O2/c1-2-23-13-8-7-10(9-12(13)21-22-23)15(24)20-11-5-3-4-6-14(11)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,24)
InChIKeyWFOHPJWZDDTMRU-UHFFFAOYSA-N
XLogP3.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
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-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
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-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
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-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide (CID 27298510) is 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3OC(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide?
The InChIKey is WFOHPJWZDDTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-2-23-13-8-7-10(9-12(13)21-22-23)15(24)20-11-5-3-4-6-14(11)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,24).
What are the key properties of 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 27298510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).