N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide

C14H8ClF3N4O — CID 9203651

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)C(F)(F)F
InChIInChI=1S/C14H8ClF3N4O/c15-9-6-11-12(7-10(9)19-13(23)14(16,17)18)21-22(20-11)8-4-2-1-3-5-8/h1-7H,(H,19,23)
InChIKeyZVFNUXOGSPFARZ-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.57
Rot. Bonds2

About N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 9203651) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID9203651
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)C(F)(F)F
InChIInChI=1S/C14H8ClF3N4O/c15-9-6-11-12(7-10(9)19-13(23)14(16,17)18)21-22(20-11)8-4-2-1-3-5-8/h1-7H,(H,19,23)
InChIKeyZVFNUXOGSPFARZ-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide (CID 9203651) is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide is O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)C(F)(F)F.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZVFNUXOGSPFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-9-6-11-12(7-10(9)19-13(23)14(16,17)18)21-22(20-11)8-4-2-1-3-5-8/h1-7H,(H,19,23).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide?
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 340.69 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9203651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).