1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide

C21H18N4O — CID 26727322

IUPAC1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C21H18N4O/c1-2-25-20-13-12-16(14-19(20)23-24-25)21(26)22-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,26)
InChIKeyZIJGDOWXPNTPNO-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.37
Rot. Bonds4

About 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide

1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide (PubChem CID 26727322) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
PubChem CID26727322
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C21H18N4O/c1-2-25-20-13-12-16(14-19(20)23-24-25)21(26)22-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,26)
InChIKeyZIJGDOWXPNTPNO-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide (CID 26727322) is 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide?
The InChIKey is ZIJGDOWXPNTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-25-20-13-12-16(14-19(20)23-24-25)21(26)22-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,26).
What are the key properties of 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide?
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 26727322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).