2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

C20H15FN4O — CID 698910

IUPAC2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1
InChIInChI=1S/C20H15FN4O/c1-13-6-9-15(10-7-13)25-23-18-11-8-14(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyLHGOIICTAUOWTG-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.12
Rot. Bonds3

About 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 698910) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
PubChem CID698910
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1
InChIInChI=1S/C20H15FN4O/c1-13-6-9-15(10-7-13)25-23-18-11-8-14(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyLHGOIICTAUOWTG-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (CID 698910) is 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is LHGOIICTAUOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-13-6-9-15(10-7-13)25-23-18-11-8-14(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26).
What are the key properties of 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 346.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 698910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).