1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide

C23H20FN5O4 — CID 24509538

IUPAC1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nn1-c1ccc(F)cc1
InChIInChI=1S/C23H20FN5O4/c1-14-25-21(27-29(14)16-8-6-15(24)7-9-16)22(30)26-19-17-4-2-3-5-18(17)33-20(19)23(31)28-10-12-32-13-11-28/h2-9H,10-13H2,1H3,(H,26,30)
InChIKeyONXBMRAXTKAPLQ-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 24509538) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID24509538
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nn1-c1ccc(F)cc1
InChIInChI=1S/C23H20FN5O4/c1-14-25-21(27-29(14)16-8-6-15(24)7-9-16)22(30)26-19-17-4-2-3-5-18(17)33-20(19)23(31)28-10-12-32-13-11-28/h2-9H,10-13H2,1H3,(H,26,30)
InChIKeyONXBMRAXTKAPLQ-UHFFFAOYSA-N
XLogP3.19
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 154836602
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
CID 46651849
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 51246107
ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate
CID 55600625

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide (CID 24509538) is 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is ONXBMRAXTKAPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c1-14-25-21(27-29(14)16-8-6-15(24)7-9-16)22(30)26-19-17-4-2-3-5-18(17)33-20(19)23(31)28-10-12-32-13-11-28/h2-9H,10-13H2,1H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24509538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).