N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide

C15H11F3N4O — CID 86252735

IUPACN-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2nnc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C15H11F3N4O/c1-9(23)19-11-3-5-12(6-4-11)22-14-8-10(15(16,17)18)2-7-13(14)20-21-22/h2-8H,1H3,(H,19,23)
InChIKeyFUWCSVNBBKQKDX-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.40
Rot. Bonds2

About N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide

N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide (PubChem CID 86252735) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
PubChem CID86252735
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2nnc3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C15H11F3N4O/c1-9(23)19-11-3-5-12(6-4-11)22-14-8-10(15(16,17)18)2-7-13(14)20-21-22/h2-8H,1H3,(H,19,23)
InChIKeyFUWCSVNBBKQKDX-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide (CID 86252735) is N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2nnc3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide?
The InChIKey is FUWCSVNBBKQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-9(23)19-11-3-5-12(6-4-11)22-14-8-10(15(16,17)18)2-7-13(14)20-21-22/h2-8H,1H3,(H,19,23).
What are the key properties of N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide?
N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide has a molecular weight of 320.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 86252735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).