2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide

C14H9F3N4O — CID 627833

IUPAC2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)13(22)18-9-6-7-11-12(8-9)20-21(19-11)10-4-2-1-3-5-10/h1-8H,(H,18,22)
InChIKeySKWZUNVOVLSFEH-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.92
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide

2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 627833) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide
PubChem CID627833
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)13(22)18-9-6-7-11-12(8-9)20-21(19-11)10-4-2-1-3-5-10/h1-8H,(H,18,22)
InChIKeySKWZUNVOVLSFEH-UHFFFAOYSA-N
XLogP2.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
2-Phenyl-2H-benzotriazol-5-ylamine
CID 721090
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide (CID 627833) is 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is SKWZUNVOVLSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)13(22)18-9-6-7-11-12(8-9)20-21(19-11)10-4-2-1-3-5-10/h1-8H,(H,18,22).
What are the key properties of 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide?
2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 306.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 627833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).