N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

C22H16N4O2 — CID 2871912

IUPACN-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1
InChIInChI=1S/C22H16N4O2/c1-14-6-9-17(10-7-14)26-24-18-11-8-16(13-19(18)25-26)23-22(27)21-12-15-4-2-3-5-20(15)28-21/h2-13H,1H3,(H,23,27)
InChIKeyZDJFXFIHZCIJIS-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.73
Rot. Bonds3

About N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide

N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 2871912) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID2871912
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC NameN-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1
InChIInChI=1S/C22H16N4O2/c1-14-6-9-17(10-7-14)26-24-18-11-8-16(13-19(18)25-26)23-22(27)21-12-15-4-2-3-5-20(15)28-21/h2-13H,1H3,(H,23,27)
InChIKeyZDJFXFIHZCIJIS-UHFFFAOYSA-N
XLogP4.73
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide (CID 2871912) is N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is Cc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is ZDJFXFIHZCIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-14-6-9-17(10-7-14)26-24-18-11-8-16(13-19(18)25-26)23-22(27)21-12-15-4-2-3-5-20(15)28-21/h2-13H,1H3,(H,23,27).
What are the key properties of N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2871912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).