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

C21H17FN4O2 — CID 75430787

IUPACN-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)o3)c2)n1C
InChIInChI=1S/C21H17FN4O2/c1-13-24-25-20(26(13)2)14-6-5-7-15(12-14)23-21(27)19-11-10-18(28-19)16-8-3-4-9-17(16)22/h3-12H,1-2H3,(H,23,27)
InChIKeyZTEVXYLMTWIXPM-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.44
Rot. Bonds4

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

N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 75430787) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID75430787
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1nnc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)o3)c2)n1C
InChIInChI=1S/C21H17FN4O2/c1-13-24-25-20(26(13)2)14-6-5-7-15(12-14)23-21(27)19-11-10-18(28-19)16-8-3-4-9-17(16)22/h3-12H,1-2H3,(H,23,27)
InChIKeyZTEVXYLMTWIXPM-UHFFFAOYSA-N
XLogP4.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 75430787) is N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide is Cc1nnc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)o3)c2)n1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is ZTEVXYLMTWIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-24-25-20(26(13)2)14-6-5-7-15(12-14)23-21(27)19-11-10-18(28-19)16-8-3-4-9-17(16)22/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 75430787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).