N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C20H17FN4O2 — CID 32575603

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1
InChIInChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-6-4-7-14(10-13)23-20(26)17-12(2)15-8-5-9-16(21)18(15)27-17/h4-11H,3H2,1-2H3,(H,23,26)
InChIKeyAEWNFEZWQYVALK-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.41
Rot. Bonds4

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 32575603) 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]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID32575603
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1
InChIInChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-6-4-7-14(10-13)23-20(26)17-12(2)15-8-5-9-16(21)18(15)27-17/h4-11H,3H2,1-2H3,(H,23,26)
InChIKeyAEWNFEZWQYVALK-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 32575603) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AEWNFEZWQYVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-3-25-11-22-24-19(25)13-6-4-7-14(10-13)23-20(26)17-12(2)15-8-5-9-16(21)18(15)27-17/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]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-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]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32575603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).