4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide

C16H12FN5O — CID 175274182

IUPAC4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
SMILESNC(=O)c1ccc(F)cc1Cc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C16H12FN5O/c17-13-5-6-14(15(18)23)12(8-13)7-10-1-3-11(4-2-10)16-21-19-9-20-22-16/h1-6,8-9H,7H2,(H2,18,23)
InChIKeyMBJVOBOQMZYXIL-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.76
Rot. Bonds4

About 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide

4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide (PubChem CID 175274182) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
PubChem CID175274182
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
SMILESNC(=O)c1ccc(F)cc1Cc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C16H12FN5O/c17-13-5-6-14(15(18)23)12(8-13)7-10-1-3-11(4-2-10)16-21-19-9-20-22-16/h1-6,8-9H,7H2,(H2,18,23)
InChIKeyMBJVOBOQMZYXIL-UHFFFAOYSA-N
XLogP1.76
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]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 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide (CID 175274182) is 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide is NC(=O)c1ccc(F)cc1Cc1ccc(-c2nncnn2)cc1.
What is the InChIKey of 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
The InChIKey is MBJVOBOQMZYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-13-5-6-14(15(18)23)12(8-13)7-10-1-3-11(4-2-10)16-21-19-9-20-22-16/h1-6,8-9H,7H2,(H2,18,23).
What are the key properties of 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide?
4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide has a molecular weight of 309.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 175274182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).