2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide

C16H13FN4O — CID 75398271

IUPAC2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H13FN4O/c17-14-9-5-4-6-12(14)10-16(22)19-15-11-18-21(20-15)13-7-2-1-3-8-13/h1-9,11H,10H2,(H,19,20,22)
InChIKeyXTMNZNHZKMLCFF-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide

2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide (PubChem CID 75398271) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide
PubChem CID75398271
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H13FN4O/c17-14-9-5-4-6-12(14)10-16(22)19-15-11-18-21(20-15)13-7-2-1-3-8-13/h1-9,11H,10H2,(H,19,20,22)
InChIKeyXTMNZNHZKMLCFF-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide (CID 75398271) is 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide is O=C(Cc1ccccc1F)Nc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide?
The InChIKey is XTMNZNHZKMLCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-14-9-5-4-6-12(14)10-16(22)19-15-11-18-21(20-15)13-7-2-1-3-8-13/h1-9,11H,10H2,(H,19,20,22).
What are the key properties of 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide?
2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide has a molecular weight of 296.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 75398271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).