N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

C21H15F3N4O2 — CID 7697368

IUPACN-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESO=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-10-11-18-19(12-15)28(27-26-18)30-13-20(29)25-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,29)
InChIKeyUIOFNAGWNLTPSM-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.18
Rot. Bonds5

About N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 7697368) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
PubChem CID7697368
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESO=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-10-11-18-19(12-15)28(27-26-18)30-13-20(29)25-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,29)
InChIKeyUIOFNAGWNLTPSM-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetic acid
CID 45034960
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697159
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213
methyl 3-[2-(2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706094
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 2128006
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29142790
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
CID 139919973

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (CID 7697368) is N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is UIOFNAGWNLTPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)15-10-11-18-19(12-15)28(27-26-18)30-13-20(29)25-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,29).
What are the key properties of N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 412.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7697368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).