6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide

C19H14N4O — CID 85468861

IUPAC6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)cc2n[nH]nc12
InChIInChI=1S/C19H14N4O/c20-19(24)16-10-15(11-17-18(16)22-23-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23)
InChIKeyGZKAHCVVNVXDSL-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.39
Rot. Bonds3

About 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide

6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide (PubChem CID 85468861) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound Name6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide
PubChem CID85468861
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)cc2n[nH]nc12
InChIInChI=1S/C19H14N4O/c20-19(24)16-10-15(11-17-18(16)22-23-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23)
InChIKeyGZKAHCVVNVXDSL-UHFFFAOYSA-N
XLogP3.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide?
The IUPAC name of 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide (CID 85468861) is 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide?
The canonical SMILES for 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide is NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)cc2n[nH]nc12.
What is the InChIKey of 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide?
The InChIKey is GZKAHCVVNVXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-19(24)16-10-15(11-17-18(16)22-23-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,20,24)(H,21,22,23).
What are the key properties of 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide?
6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 85468861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).