[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C16H12Cl2N4O3 — CID 23964451

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N4O3/c17-10-5-6-12(11(18)7-10)19-15(23)9-25-16(24)8-22-14-4-2-1-3-13(14)20-21-22/h1-7H,8-9H2,(H,19,23)
InChIKeyRIPYVWNEESSJDT-UHFFFAOYSA-N
MW379.20 g/mol
LogP2.92
Rot. Bonds5

About [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 23964451) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID23964451
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N4O3/c17-10-5-6-12(11(18)7-10)19-15(23)9-25-16(24)8-22-14-4-2-1-3-13(14)20-21-22/h1-7H,8-9H2,(H,19,23)
InChIKeyRIPYVWNEESSJDT-UHFFFAOYSA-N
XLogP2.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55481454
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27031864
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3919507
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2408717
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 23964451) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(COC(=O)Cn1nnc2ccccc21)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is RIPYVWNEESSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c17-10-5-6-12(11(18)7-10)19-15(23)9-25-16(24)8-22-14-4-2-1-3-13(14)20-21-22/h1-7H,8-9H2,(H,19,23).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 379.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 23964451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).