N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

C19H17F3N4O2 — CID 2128006

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESO=C(COn1nnc2ccc(C(F)(F)F)cc21)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-9-16-17(10-13)26(25-24-16)28-11-18(27)23-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,23,27)/t15-/m0/s1
InChIKeyHEJMFASFOVGQMU-HNNXBMFYSA-N
MW390.37 g/mol
LogP3.07
Rot. Bonds4

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 2128006) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
PubChem CID2128006
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESO=C(COn1nnc2ccc(C(F)(F)F)cc21)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-9-16-17(10-13)26(25-24-16)28-11-18(27)23-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,23,27)/t15-/m0/s1
InChIKeyHEJMFASFOVGQMU-HNNXBMFYSA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25361394
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697159
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 46513847
2-quinolin-6-yloxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75405661
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 41144264
4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 69349407
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3,4,5-trihydroxybenzoate
CID 2424708
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544531
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-fluorophenyl)acetate
CID 2544534

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (CID 2128006) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is O=C(COn1nnc2ccc(C(F)(F)F)cc21)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is HEJMFASFOVGQMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)13-8-9-16-17(10-13)26(25-24-16)28-11-18(27)23-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-10,15H,3,5,7,11H2,(H,23,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 390.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 2128006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).