1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide

C22H15FN4O3 — CID 46263215

IUPAC1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cn(-c3ccc(F)cc3)nn1)oc1ccccc12
InChIInChI=1S/C22H15FN4O3/c1-29-21-10-16-15-4-2-3-5-19(15)30-20(16)11-17(21)24-22(28)18-12-27(26-25-18)14-8-6-13(23)7-9-14/h2-12H,1H3,(H,24,28)
InChIKeyNTVXABOWPVKGHT-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.57
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide (PubChem CID 46263215) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
PubChem CID46263215
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cn(-c3ccc(F)cc3)nn1)oc1ccccc12
InChIInChI=1S/C22H15FN4O3/c1-29-21-10-16-15-4-2-3-5-19(15)30-20(16)11-17(21)24-22(28)18-12-27(26-25-18)14-8-6-13(23)7-9-14/h2-12H,1H3,(H,24,28)
InChIKeyNTVXABOWPVKGHT-UHFFFAOYSA-N
XLogP4.57
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide (CID 46263215) is 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide is COc1cc2c(cc1NC(=O)c1cn(-c3ccc(F)cc3)nn1)oc1ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide?
The InChIKey is NTVXABOWPVKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3/c1-29-21-10-16-15-4-2-3-5-19(15)30-20(16)11-17(21)24-22(28)18-12-27(26-25-18)14-8-6-13(23)7-9-14/h2-12H,1H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 46263215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).