N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

C19H19FN4O2 — CID 15457295

IUPACN-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O
InChIInChI=1S/C19H19FN4O2/c1-13(2)23(16-10-8-15(20)9-11-16)18(25)22-12-21-24(19(22)26)17-7-5-4-6-14(17)3/h4-13H,1-3H3
InChIKeyRZUDTEGABQCYPG-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.36
Rot. Bonds3

About N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457295) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457295
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O
InChIInChI=1S/C19H19FN4O2/c1-13(2)23(16-10-8-15(20)9-11-16)18(25)22-12-21-24(19(22)26)17-7-5-4-6-14(17)3/h4-13H,1-3H3
InChIKeyRZUDTEGABQCYPG-UHFFFAOYSA-N
XLogP3.36
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457295) is N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is Cc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is RZUDTEGABQCYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13(2)23(16-10-8-15(20)9-11-16)18(25)22-12-21-24(19(22)26)17-7-5-4-6-14(17)3/h4-13H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).