2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide

C11H13ClN4O2 — CID 7696914

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN4O2/c1-2-5-13-11(17)7-18-16-10-6-8(12)3-4-9(10)14-15-16/h3-4,6H,2,5,7H2,1H3,(H,13,17)
InChIKeyURTLMXHLWBQPIY-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.04
Rot. Bonds5

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide (PubChem CID 7696914) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
PubChem CID7696914
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN4O2/c1-2-5-13-11(17)7-18-16-10-6-8(12)3-4-9(10)14-15-16/h3-4,6H,2,5,7H2,1H3,(H,13,17)
InChIKeyURTLMXHLWBQPIY-UHFFFAOYSA-N
XLogP1.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chlorobenzotriazol-1-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7696871
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 2682734
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide (CID 7696914) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide is CCCNC(=O)COn1nnc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide?
The InChIKey is URTLMXHLWBQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-2-5-13-11(17)7-18-16-10-6-8(12)3-4-9(10)14-15-16/h3-4,6H,2,5,7H2,1H3,(H,13,17).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide has a molecular weight of 268.70 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide is sourced from PubChem (CID 7696914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).