N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide

C21H14N4O2 — CID 2164520

IUPACN-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2o1
InChIInChI=1S/C21H14N4O2/c26-21(20-12-14-6-4-5-9-19(14)27-20)22-15-10-11-17-18(13-15)24-25(23-17)16-7-2-1-3-8-16/h1-13H,(H,22,26)
InChIKeyATEVRWCYDAYKHE-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.42
Rot. Bonds3

About N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide

N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 2164520) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID2164520
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC NameN-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2o1
InChIInChI=1S/C21H14N4O2/c26-21(20-12-14-6-4-5-9-19(14)27-20)22-15-10-11-17-18(13-15)24-25(23-17)16-7-2-1-3-8-16/h1-13H,(H,22,26)
InChIKeyATEVRWCYDAYKHE-UHFFFAOYSA-N
XLogP4.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104245
5-(2,5-Dichlorophenyl)-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-YL]furan-2-carboxamide
CID 1114201
5-(3-chlorophenyl)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216011
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
N-(2,1,3-benzothiadiazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1372159
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2273874
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 4584930
N-[6-Methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-YL]-5-phenylfuran-2-carboxamide
CID 15991067
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide (CID 2164520) is N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ATEVRWCYDAYKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21(20-12-14-6-4-5-9-19(14)27-20)22-15-10-11-17-18(13-15)24-25(23-17)16-7-2-1-3-8-16/h1-13H,(H,22,26).
What are the key properties of N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide?
N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).