2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

C22H20N4O4 — CID 3399274

IUPAC2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1
InChIInChI=1S/C22H20N4O4/c1-28-16-10-8-15(9-11-16)26-24-17-12-7-14(13-18(17)25-26)23-22(27)21-19(29-2)5-4-6-20(21)30-3/h4-13H,1-3H3,(H,23,27)
InChIKeyWQPBDAJMUNQEPT-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.70
Rot. Bonds6

About 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 3399274) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID3399274
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1
InChIInChI=1S/C22H20N4O4/c1-28-16-10-8-15(9-11-16)26-24-17-12-7-14(13-18(17)25-26)23-22(27)21-19(29-2)5-4-6-20(21)30-3/h4-13H,1-3H3,(H,23,27)
InChIKeyWQPBDAJMUNQEPT-UHFFFAOYSA-N
XLogP3.70
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
CID 1123637
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 1256763
N-(6-chloro-2-phenylbenzotriazol-5-yl)-3,5-dimethoxybenzamide
CID 1257972
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
CID 1372492
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-(3-methylbutoxy)benzamide
CID 15991055
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide
CID 5298400
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide
CID 1216139
2-fluoro-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]benzamide
CID 1102697
5-chloro-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-methoxybenzamide
CID 1363784
2-fluoro-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 2269265
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-fluorobenzamide
CID 15987521

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 3399274) is 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is WQPBDAJMUNQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-16-10-8-15(9-11-16)26-24-17-12-7-14(13-18(17)25-26)23-22(27)21-19(29-2)5-4-6-20(21)30-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 3399274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).