N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

C23H21N5O2 — CID 53111510

IUPACN-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-15-3-5-17(6-4-15)14-28-22-12-7-18(13-21(22)26-27-28)23(30)25-20-10-8-19(9-11-20)24-16(2)29/h3-13H,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyCIEPBIAZTSNDIC-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.00
Rot. Bonds5

About N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111510) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111510
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-15-3-5-17(6-4-15)14-28-22-12-7-18(13-21(22)26-27-28)23(30)25-20-10-8-19(9-11-20)24-16(2)29/h3-13H,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyCIEPBIAZTSNDIC-UHFFFAOYSA-N
XLogP4.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
ethyl 3-[[1-[(4-fluorophenyl)methyl]benzotriazole-5-carbonyl]amino]benzoate
CID 53111407
1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
CID 53111293
N-ethyl-1-[(4-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 53111432
N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
CID 27700431

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111510) is N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is CIEPBIAZTSNDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-3-5-17(6-4-15)14-28-22-12-7-18(13-21(22)26-27-28)23(30)25-20-10-8-19(9-11-20)24-16(2)29/h3-13H,14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).