2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide

C16H15ClN4O2 — CID 7668572

IUPAC2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(COn1nnc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O2/c17-13-7-5-12(6-8-13)9-10-18-16(22)11-23-21-15-4-2-1-3-14(15)19-20-21/h1-8H,9-11H2,(H,18,22)
InChIKeyDGRVWCUXBPIMFQ-UHFFFAOYSA-N
MW330.78 g/mol
LogP1.87
Rot. Bonds6

About 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 7668572) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID7668572
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(COn1nnc2ccccc21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O2/c17-13-7-5-12(6-8-13)9-10-18-16(22)11-23-21-15-4-2-1-3-14(15)19-20-21/h1-8H,9-11H2,(H,18,22)
InChIKeyDGRVWCUXBPIMFQ-UHFFFAOYSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
CID 134137184
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
CID 7668592
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
CID 134149149
N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134597
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(6-chlorobenzotriazol-1-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7696871
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
CID 110678230
N-[2-(4-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 92633431
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7668531

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 7668572) is 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(COn1nnc2ccccc21)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is DGRVWCUXBPIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-13-7-5-12(6-8-13)9-10-18-16(22)11-23-21-15-4-2-1-3-14(15)19-20-21/h1-8H,9-11H2,(H,18,22).
What are the key properties of 2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 330.78 g/mol, XLogP of 1.87, 6 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-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 7668572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).