N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide

C15H11F3N4O — CID 779044

IUPACN-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C15H11F3N4O/c1-9(23)19-11-5-6-13-14(8-11)21-22(20-13)12-4-2-3-10(7-12)15(16,17)18/h2-8H,1H3,(H,19,23)
InChIKeyARUKXJBSGQVKSJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.40
Rot. Bonds2

About N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide

N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide (PubChem CID 779044) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide
PubChem CID779044
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C15H11F3N4O/c1-9(23)19-11-5-6-13-14(8-11)21-22(20-13)12-4-2-3-10(7-12)15(16,17)18/h2-8H,1H3,(H,19,23)
InChIKeyARUKXJBSGQVKSJ-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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Related Compounds

N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
N-[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide (CID 779044) is N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide is CC(=O)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide?
The InChIKey is ARUKXJBSGQVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-9(23)19-11-5-6-13-14(8-11)21-22(20-13)12-4-2-3-10(7-12)15(16,17)18/h2-8H,1H3,(H,19,23).
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide?
N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]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-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]acetamide is sourced from PubChem (CID 779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).