2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide

C15H14N4O2 — CID 7668396

IUPAC2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COn2nnc3ccccc32)c1
InChIInChI=1S/C15H14N4O2/c1-11-5-4-6-12(9-11)16-15(20)10-21-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20)
InChIKeyAFGFTSBWMFMBIZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.81
Rot. Bonds4

About 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide

2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide (PubChem CID 7668396) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
PubChem CID7668396
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COn2nnc3ccccc32)c1
InChIInChI=1S/C15H14N4O2/c1-11-5-4-6-12(9-11)16-15(20)10-21-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20)
InChIKeyAFGFTSBWMFMBIZ-UHFFFAOYSA-N
XLogP1.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide
CID 67477028
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
CID 134137184
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 47018917
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
CID 7668592

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide (CID 7668396) is 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COn2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide?
The InChIKey is AFGFTSBWMFMBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-5-4-6-12(9-11)16-15(20)10-21-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20).
What are the key properties of 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide?
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7668396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).