N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

C23H20N4O3 — CID 53111154

IUPACN-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cn2nnc3cc(C(=O)Nc4ccc(C(C)=O)cc4)ccc32)cc1
InChIInChI=1S/C23H20N4O3/c1-15(28)17-5-8-19(9-6-17)24-23(29)18-7-12-22-21(13-18)25-26-27(22)14-16-3-10-20(30-2)11-4-16/h3-13H,14H2,1-2H3,(H,24,29)
InChIKeyJPCCFGYFEKQJBG-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.94
Rot. Bonds6

About N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111154) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111154
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cn2nnc3cc(C(=O)Nc4ccc(C(C)=O)cc4)ccc32)cc1
InChIInChI=1S/C23H20N4O3/c1-15(28)17-5-8-19(9-6-17)24-23(29)18-7-12-22-21(13-18)25-26-27(22)14-16-3-10-20(30-2)11-4-16/h3-13H,14H2,1-2H3,(H,24,29)
InChIKeyJPCCFGYFEKQJBG-UHFFFAOYSA-N
XLogP3.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
1-[(3-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)benzotriazole-5-carboxamide
CID 53111371
1-[(4-methoxyphenyl)methyl]-N-(3-piperidin-1-ylpropyl)benzotriazole-5-carboxamide
CID 53111224
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (CID 53111154) is N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is COc1ccc(Cn2nnc3cc(C(=O)Nc4ccc(C(C)=O)cc4)ccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is JPCCFGYFEKQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15(28)17-5-8-19(9-6-17)24-23(29)18-7-12-22-21(13-18)25-26-27(22)14-16-3-10-20(30-2)11-4-16/h3-13H,14H2,1-2H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).