[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

C15H10Cl4N2O4 — CID 23818620

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H10Cl4N2O4/c16-8-1-2-13(20-5-8)21-14(22)6-25-15(23)7-24-12-4-10(18)9(17)3-11(12)19/h1-5H,6-7H2,(H,20,21,22)
InChIKeyYDWSRELIZOMJHM-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.26
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 23818620) has the molecular formula C15H10Cl4N2O4 and a molecular weight of 424.07 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID23818620
Molecular FormulaC15H10Cl4N2O4
Molecular Weight424.07 g/mol
Exact Mass421.94
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H10Cl4N2O4/c16-8-1-2-13(20-5-8)21-14(22)6-25-15(23)7-24-12-4-10(18)9(17)3-11(12)19/h1-5H,6-7H2,(H,20,21,22)
InChIKeyYDWSRELIZOMJHM-UHFFFAOYSA-N
XLogP4.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23851547
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 24687083
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23735344
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7873938

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (CID 23818620) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is YDWSRELIZOMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O4/c16-8-1-2-13(20-5-8)21-14(22)6-25-15(23)7-24-12-4-10(18)9(17)3-11(12)19/h1-5H,6-7H2,(H,20,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 424.07 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 23818620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).