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

C21H17FN4O2 — CID 31917035

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C21H17FN4O2/c1-2-26-13-23-25-20(26)15-4-3-5-17(12-15)24-21(27)19-11-10-18(28-19)14-6-8-16(22)9-7-14/h3-13H,2H2,1H3,(H,24,27)
InChIKeyOWFPWRZSPJZTGA-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.62
Rot. Bonds5

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

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 31917035) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID31917035
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C21H17FN4O2/c1-2-26-13-23-25-20(26)15-4-3-5-17(12-15)24-21(27)19-11-10-18(28-19)14-6-8-16(22)9-7-14/h3-13H,2H2,1H3,(H,24,27)
InChIKeyOWFPWRZSPJZTGA-UHFFFAOYSA-N
XLogP4.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.62
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]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 31917035) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is OWFPWRZSPJZTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-2-26-13-23-25-20(26)15-4-3-5-17(12-15)24-21(27)19-11-10-18(28-19)14-6-8-16(22)9-7-14/h3-13H,2H2,1H3,(H,24,27).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.62, 5 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-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 31917035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).