4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C16H13FN4O — CID 716731

IUPAC4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN4O/c1-21-10-18-20-15(21)12-3-2-4-14(9-12)19-16(22)11-5-7-13(17)8-6-11/h2-10H,1H3,(H,19,22)
InChIKeyPTGZFPKWPWMNBM-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.87
Rot. Bonds3

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

4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 716731) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID716731
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN4O/c1-21-10-18-20-15(21)12-3-2-4-14(9-12)19-16(22)11-5-7-13(17)8-6-11/h2-10H,1H3,(H,19,22)
InChIKeyPTGZFPKWPWMNBM-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 716731) is 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is Cn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is PTGZFPKWPWMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-21-10-18-20-15(21)12-3-2-4-14(9-12)19-16(22)11-5-7-13(17)8-6-11/h2-10H,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 296.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 716731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).