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

C15H11FN4O — CID 6457725

IUPACN-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H11FN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyZJQPXKXWEFZNAY-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.66
Rot. Bonds3

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

N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6457725) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6457725
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC NameN-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H11FN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyZJQPXKXWEFZNAY-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 6457725) is N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ZJQPXKXWEFZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 282.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6457725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).