N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C20H17FN4O2 — CID 32575605

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-5-4-6-15(9-13)23-20(26)18-12(2)16-10-14(21)7-8-17(16)27-18/h4-11H,3H2,1-2H3,(H,23,26)
InChIKeyHYVJTHYXKWPFLY-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.41
Rot. Bonds4

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 32575605) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID32575605
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-5-4-6-15(9-13)23-20(26)18-12(2)16-10-14(21)7-8-17(16)27-18/h4-11H,3H2,1-2H3,(H,23,26)
InChIKeyHYVJTHYXKWPFLY-UHFFFAOYSA-N
XLogP4.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 648856
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 142499849
3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 647922
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1262637
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2089578
3-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 2127869
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2212821
5-bromo-3-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2080519
3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2579661
N-[4-(acetylamino)phenyl]-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6495856
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 164627970
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
CID 70721234

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 32575605) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HYVJTHYXKWPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-5-4-6-15(9-13)23-20(26)18-12(2)16-10-14(21)7-8-17(16)27-18/h4-11H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32575605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).