1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone

C14H9Cl2N3O2 — CID 2321100

IUPAC1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1nnc2ccccc21
InChIInChI=1S/C14H9Cl2N3O2/c15-9-5-6-13(10(16)7-9)21-8-14(20)19-12-4-2-1-3-11(12)17-18-19/h1-7H,8H2
InChIKeyVOCXYVVYSFBVGO-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.46
Rot. Bonds3

About 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone

1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 2321100) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
PubChem CID2321100
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1nnc2ccccc21
InChIInChI=1S/C14H9Cl2N3O2/c15-9-5-6-13(10(16)7-9)21-8-14(20)19-12-4-2-1-3-11(12)17-18-19/h1-7H,8H2
InChIKeyVOCXYVVYSFBVGO-UHFFFAOYSA-N
XLogP3.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 17384308
1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 3603099
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 99965989
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
(2-amino-4-chlorophenyl)-(benzotriazol-1-yl)methanone
CID 134859829
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone (CID 2321100) is 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1Cl)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is VOCXYVVYSFBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-5-6-13(10(16)7-9)21-8-14(20)19-12-4-2-1-3-11(12)17-18-19/h1-7H,8H2.
What are the key properties of 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 322.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 2321100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).