5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide

C20H15FN4O2 — CID 16762292

IUPAC5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C20H15FN4O2/c1-25-12-22-24-19(25)14-3-2-4-16(11-14)23-20(26)18-10-9-17(27-18)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,23,26)
InChIKeyLZKNFZNSNJBYQG-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.13
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide (PubChem CID 16762292) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide
PubChem CID16762292
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C20H15FN4O2/c1-25-12-22-24-19(25)14-3-2-4-16(11-14)23-20(26)18-10-9-17(27-18)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,23,26)
InChIKeyLZKNFZNSNJBYQG-UHFFFAOYSA-N
XLogP4.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide (CID 16762292) is 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide is Cn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is LZKNFZNSNJBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-25-12-22-24-19(25)14-3-2-4-16(11-14)23-20(26)18-10-9-17(27-18)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,23,26).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 16762292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).