2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide

C16H16N4O — CID 856334

IUPAC2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N4O/c1-11-7-8-13(12(2)9-11)17-16(21)10-20-15-6-4-3-5-14(15)18-19-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyUHDIILRVWOZEQI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 856334) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID856334
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N4O/c1-11-7-8-13(12(2)9-11)17-16(21)10-20-15-6-4-3-5-14(15)18-19-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyUHDIILRVWOZEQI-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195
2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 20865644
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366045
2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031753
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide (CID 856334) is 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc3ccccc32)c(C)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is UHDIILRVWOZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-8-13(12(2)9-11)17-16(21)10-20-15-6-4-3-5-14(15)18-19-20/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 856334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).