N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide

C25H20N4O2 — CID 15991067

IUPACN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)o4)cc3n2)cc1
InChIInChI=1S/C25H20N4O2/c1-16-8-10-19(11-9-16)29-27-21-14-17(2)20(15-22(21)28-29)26-25(30)24-13-12-23(31-24)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,30)
InChIKeyUTOYNDFMCIJQJN-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.55
Rot. Bonds4

About N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide

N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide (PubChem CID 15991067) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide
PubChem CID15991067
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)o4)cc3n2)cc1
InChIInChI=1S/C25H20N4O2/c1-16-8-10-19(11-9-16)29-27-21-14-17(2)20(15-22(21)28-29)26-25(30)24-13-12-23(31-24)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,30)
InChIKeyUTOYNDFMCIJQJN-UHFFFAOYSA-N
XLogP5.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-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-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide (CID 15991067) is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide is Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)o4)cc3n2)cc1.
What is the InChIKey of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide?
The InChIKey is UTOYNDFMCIJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-8-10-19(11-9-16)29-27-21-14-17(2)20(15-22(21)28-29)26-25(30)24-13-12-23(31-24)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,30).
What are the key properties of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide?
N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 15991067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).