3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C21H15FN4O — CID 4080608

IUPAC3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H15FN4O/c22-17-8-4-7-16(13-17)21(27)24-18-9-11-19(12-10-18)26-20(14-23-25-26)15-5-2-1-3-6-15/h1-14H,(H,24,27)
InChIKeyAOXAMEGFKYDBKZ-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.33
Rot. Bonds4

About 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 4080608) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID4080608
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H15FN4O/c22-17-8-4-7-16(13-17)21(27)24-18-9-11-19(12-10-18)26-20(14-23-25-26)15-5-2-1-3-6-15/h1-14H,(H,24,27)
InChIKeyAOXAMEGFKYDBKZ-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 4080608) is 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is AOXAMEGFKYDBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-17-8-4-7-16(13-17)21(27)24-18-9-11-19(12-10-18)26-20(14-23-25-26)15-5-2-1-3-6-15/h1-14H,(H,24,27).
What are the key properties of 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 358.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 4080608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).