4-fluoro-N-(1,2,4-triazol-4-yl)benzamide

C9H7FN4O — CID 814674

IUPAC4-fluoro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyQNLTTXQVAMGCIV-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.80
Rot. Bonds2

About 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide

4-fluoro-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 814674) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID814674
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name4-fluoro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyQNLTTXQVAMGCIV-UHFFFAOYSA-N
XLogP0.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide (CID 814674) is 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QNLTTXQVAMGCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15).
What are the key properties of 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide?
4-fluoro-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 206.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 814674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).