N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide

C16H15N5O2 — CID 53051571

IUPACN-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C16H15N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-16(23)11-3-8-15-14(9-11)19-20-21(15)2/h3-9H,1-2H3,(H,17,22)(H,18,23)
InChIKeyAZEYTAZYFNUIEW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.18
Rot. Bonds3

About N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide

N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide (PubChem CID 53051571) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
PubChem CID53051571
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C16H15N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-16(23)11-3-8-15-14(9-11)19-20-21(15)2/h3-9H,1-2H3,(H,17,22)(H,18,23)
InChIKeyAZEYTAZYFNUIEW-UHFFFAOYSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
N-(2,5-difluorophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051524
N-(4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051601
1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-(4-ethylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051598
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
1-amino-3-(1-methylbenzotriazol-5-yl)urea
CID 126153811
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide (CID 53051571) is N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide?
The InChIKey is AZEYTAZYFNUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(22)17-12-4-6-13(7-5-12)18-16(23)11-3-8-15-14(9-11)19-20-21(15)2/h3-9H,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide?
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).